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

C15H10ClN3O3S — CID 71788372

IUPACN-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2cccc(Cl)c2)co1)c1ccsc1
InChIInChI=1S/C15H10ClN3O3S/c16-10-2-1-3-11(6-10)17-14(21)12-7-22-15(18-12)19-13(20)9-4-5-23-8-9/h1-8H,(H,17,21)(H,18,19,20)
InChIKeyHMQHNKYLCBRMKJ-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.89
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788372) has the molecular formula C15H10ClN3O3S and a molecular weight of 347.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788372
Molecular FormulaC15H10ClN3O3S
Molecular Weight347.78 g/mol
Exact Mass347.01
IUPAC NameN-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2cccc(Cl)c2)co1)c1ccsc1
InChIInChI=1S/C15H10ClN3O3S/c16-10-2-1-3-11(6-10)17-14(21)12-7-22-15(18-12)19-13(20)9-4-5-23-8-9/h1-8H,(H,17,21)(H,18,19,20)
InChIKeyHMQHNKYLCBRMKJ-UHFFFAOYSA-N
XLogP3.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
CID 90514961
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 99872802
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907985
N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
CID 63254340
ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 71788378
N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788372) is N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2cccc(Cl)c2)co1)c1ccsc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is HMQHNKYLCBRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3S/c16-10-2-1-3-11(6-10)17-14(21)12-7-22-15(18-12)19-13(20)9-4-5-23-8-9/h1-8H,(H,17,21)(H,18,19,20).
What are the key properties of N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).