N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C16H12ClN3O3S — CID 90515407

IUPACN-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C16H12ClN3O3S/c1-9-10(17)4-2-5-11(9)18-14(21)12-8-23-16(19-12)20-15(22)13-6-3-7-24-13/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyWXGQSGOOPODAEL-UHFFFAOYSA-N
MW361.81 g/mol
LogP4.20
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515407) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID90515407
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C16H12ClN3O3S/c1-9-10(17)4-2-5-11(9)18-14(21)12-8-23-16(19-12)20-15(22)13-6-3-7-24-13/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyWXGQSGOOPODAEL-UHFFFAOYSA-N
XLogP4.20
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907985
N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515476
N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 94288943
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-(2,3-dichlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402707
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515407) is N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1coc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is WXGQSGOOPODAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c1-9-10(17)4-2-5-11(9)18-14(21)12-8-23-16(19-12)20-15(22)13-6-3-7-24-13/h2-8H,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 361.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).