2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

C16H13Cl2N3O2S — CID 84560946

IUPAC2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)n1
InChIInChI=1S/C16H13Cl2N3O2S/c1-8(2)13-7-24-16(20-13)21-14(22)12-6-23-15(19-12)9-3-4-10(17)11(18)5-9/h3-8H,1-2H3,(H,20,21,22)
InChIKeyRBFGKJLPURMKDC-UHFFFAOYSA-N
MW382.27 g/mol
LogP5.48
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 84560946) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID84560946
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)n1
InChIInChI=1S/C16H13Cl2N3O2S/c1-8(2)13-7-24-16(20-13)21-14(22)12-6-23-15(19-12)9-3-4-10(17)11(18)5-9/h3-8H,1-2H3,(H,20,21,22)
InChIKeyRBFGKJLPURMKDC-UHFFFAOYSA-N
XLogP5.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.27
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 84557151
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 103604372
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 30715660
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552909

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (CID 84560946) is 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is CC(C)c1csc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is RBFGKJLPURMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-8(2)13-7-24-16(20-13)21-14(22)12-6-23-15(19-12)9-3-4-10(17)11(18)5-9/h3-8H,1-2H3,(H,20,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84560946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).