N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide

C16H12ClN3O4S — CID 71788377

IUPACN-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1coc(NC(=O)c2ccsc2)n1
InChIInChI=1S/C16H12ClN3O4S/c1-23-13-3-2-10(17)6-11(13)18-15(22)12-7-24-16(19-12)20-14(21)9-4-5-25-8-9/h2-8H,1H3,(H,18,22)(H,19,20,21)
InChIKeyIAVPCQXVTDFPJC-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.90
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788377) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788377
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1coc(NC(=O)c2ccsc2)n1
InChIInChI=1S/C16H12ClN3O4S/c1-23-13-3-2-10(17)6-11(13)18-15(22)12-7-24-16(19-12)20-14(21)9-4-5-25-8-9/h2-8H,1H3,(H,18,22)(H,19,20,21)
InChIKeyIAVPCQXVTDFPJC-UHFFFAOYSA-N
XLogP3.90
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788377) is N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1coc(NC(=O)c2ccsc2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is IAVPCQXVTDFPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c1-23-13-3-2-10(17)6-11(13)18-15(22)12-7-24-16(19-12)20-14(21)9-4-5-25-8-9/h2-8H,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).