N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

C15H11ClN2O2S — CID 46347232

IUPACN-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C15H11ClN2O2S/c1-9-6-7-12(21-9)14-13(17-8-20-14)15(19)18-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)
InChIKeyJZQLLWRFUWAEKB-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.62
Rot. Bonds3

About N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 46347232) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID46347232
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.78 g/mol
Exact Mass318.02
IUPAC NameN-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C15H11ClN2O2S/c1-9-6-7-12(21-9)14-13(17-8-20-14)15(19)18-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)
InChIKeyJZQLLWRFUWAEKB-UHFFFAOYSA-N
XLogP4.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347253
N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122853
N-(3-ethoxypropyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347281
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225
N-(2-ethylphenyl)-5-(5-methylfuran-2-yl)-1,3-oxazole-4-carboxamide
CID 46347186
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963550
N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99773997
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
CID 46485504
5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 2985513
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (CID 46347232) is N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2Cl)s1.
What is the InChIKey of N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is JZQLLWRFUWAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-9-6-7-12(21-9)14-13(17-8-20-14)15(19)18-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 318.78 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).