4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

CAS: 477870-40-9

Formula: C24H19Cl2N3O5

SMILES: COC(OC)C1=CC=NC(=N1)C1=CC=C(OC(=O)C2=C(C)ON=C2C2=C(Cl)C=CC=C2Cl)C=C1

IUPAC: 4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

InChI: InChI=1S/C24H19Cl2N3O5/c1-13-19(21(29-34-13)20-16(25)5-4-6-17(20)26)23(30)33-15-9-7-14(8-10-15)22-27-12-11-18(28-22)24(31-2)32-3/h4-12,24H,1-3H3

Composition: C (57.61%), H (3.83%), Cl (14.17%), N (8.40%), O (15.99%)

Molar Mass: 500.33

Atom Count: 53

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	499.0701761
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	QYKZFINJDGYHCP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	137.9
Topological Polar Surface Area	96.57
Polarizability	50.38
Ring Count	4
Rotatable Bond Count	7

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