N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H14ClN3O3S — CID 55447891

IUPACN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1Cl
InChIInChI=1S/C20H14ClN3O3S/c1-26-17-8-7-13(9-14(17)21)16-11-28-20(22-16)23-19(25)15-10-18(27-24-15)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23,25)
InChIKeyNLEVEMWYQABNOB-UHFFFAOYSA-N
MW411.87 g/mol
LogP5.38
Rot. Bonds5

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 55447891) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID55447891
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1Cl
InChIInChI=1S/C20H14ClN3O3S/c1-26-17-8-7-13(9-14(17)21)16-11-28-20(22-16)23-19(25)15-10-18(27-24-15)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23,25)
InChIKeyNLEVEMWYQABNOB-UHFFFAOYSA-N
XLogP5.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 24608242
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 16562237
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 112795524
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 134053387
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 39097245

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 55447891) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NLEVEMWYQABNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c1-26-17-8-7-13(9-14(17)21)16-11-28-20(22-16)23-19(25)15-10-18(27-24-15)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23,25).
What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55447891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).