N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H12N2O3S — CID 17253078

IUPACN-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-11-6-4-10(5-7-11)16-15(18)12-9-13(20-17-12)14-3-2-8-21-14/h2-9H,1H3,(H,16,18)
InChIKeySPXMCLYTZFOOFM-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.66
Rot. Bonds4

About N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17253078) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17253078
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-11-6-4-10(5-7-11)16-15(18)12-9-13(20-17-12)14-3-2-8-21-14/h2-9H,1H3,(H,16,18)
InChIKeySPXMCLYTZFOOFM-UHFFFAOYSA-N
XLogP3.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(4-chlorophenyl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 2745203
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
N-(3-hydroxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253072
N-(propan-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 2745205
N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777443
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
N-(2-ethylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 3337764
N-(4-cyanophenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 16195442
N-(4-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253069
Methyl 2-[(5-(2-thienyl)isoxazol-3-yl)carbonylamino]benzoate
CID 3238663

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17253078) is N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SPXMCLYTZFOOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-11-6-4-10(5-7-11)16-15(18)12-9-13(20-17-12)14-3-2-8-21-14/h2-9H,1H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).