3-(4-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)ethyl}phenyl)-1,2-oxazole-5-carboxylic acid

3-(4-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)ethyl}phenyl)-1,2-oxazole-5-carboxylic acid

CAS: 1373156-28-5

Formula: C27H20ClN3O5

SMILES: COC1=CC=C(C=C1)C(CC1=CC=C(C=C1)C1=NOC(=C1)C(O)=O)C1=NC(=NO1)C1=CC=C(Cl)C=C1

IUPAC: 3-(4-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)ethyl}phenyl)-1,2-oxazole-5-carboxylic acid

InChI: InChI=1/C27H20ClN3O5/c1-34-21-12-8-17(9-13-21)22(26-29-25(31-36-26)19-6-10-20(28)11-7-19)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33)

Composition: C (64.61%), H (4.02%), Cl (7.06%), N (8.37%), O (15.94%)

Molar Mass: 501.92

Atom Count: 56

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	1
Exact Mass	501.1091485
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	MZRTXTPBAYMJCA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	145.13
Topological Polar Surface Area	111.48
Polarizability	52.09
Ring Count	5
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1373156-28-5		$494.31$494.31