N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H13ClN2O3S — CID 60527538

IUPACN-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-9(20)10-2-4-11(5-3-10)18-16(21)13-8-12(19-22-13)14-6-7-15(17)23-14/h2-7,13H,8H2,1H3,(H,18,21)
InChIKeyQMHYHJLDGYWYLZ-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.74
Rot. Bonds4

About N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 60527538) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID60527538
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-9(20)10-2-4-11(5-3-10)18-16(21)13-8-12(19-22-13)14-6-7-15(17)23-14/h2-7,13H,8H2,1H3,(H,18,21)
InChIKeyQMHYHJLDGYWYLZ-UHFFFAOYSA-N
XLogP3.74
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55891968
3-(5-chlorothiophen-2-yl)-N-(4-cyclopentylsulfonylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121190
(5R)-3-(5-chlorothiophen-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 97084934
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60529664
3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55881159
3-(5-chlorothiophen-2-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 75463209
(4-acetamidophenyl) 3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 60524248
(5R)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94191507
3-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47061847
3-(5-chlorothiophen-2-yl)-N-prop-2-ynyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47301490
N-(2-bromo-4-methylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60529615
3-(5-chlorothiophen-2-yl)-N-(4,5-dimethoxy-2-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55884214

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 60527538) is N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QMHYHJLDGYWYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-9(20)10-2-4-11(5-3-10)18-16(21)13-8-12(19-22-13)14-6-7-15(17)23-14/h2-7,13H,8H2,1H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60527538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).