2-(4-methoxyphenyl)-5-(octane-1-sulfonyl)-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-(octane-1-sulfonyl)-1,3,4-oxadiazole

CAS: 477857-42-4

Formula: C17H24N2O4S

SMILES: CCCCCCCCS(=O)(=O)C1=NN=C(O1)C1=CC=C(OC)C=C1

IUPAC: 2-(4-methoxyphenyl)-5-(octane-1-sulfonyl)-1,3,4-oxadiazole

InChI: InChI=1S/C17H24N2O4S/c1-3-4-5-6-7-8-13-24(20,21)17-19-18-16(23-17)14-9-11-15(22-2)12-10-14/h9-12H,3-8,13H2,1-2H3

Composition: C (57.93%), H (6.86%), N (7.95%), O (18.16%), S (9.10%)

Molar Mass: 352.45

Atom Count: 48

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	352.145678435
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	XWUCZFQCEXJBEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.22
Topological Polar Surface Area	82.29
Polarizability	37.15
Ring Count	2
Rotatable Bond Count	10

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