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

C14H10N2O3S — CID 17253072

IUPACN-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H10N2O3S/c17-10-4-1-3-9(7-10)15-14(18)11-8-12(19-16-11)13-5-2-6-20-13/h1-8,17H,(H,15,18)
InChIKeyRDFVKBBDZCEXQZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.36
Rot. Bonds3

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

N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17253072) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17253072
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC NameN-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H10N2O3S/c17-10-4-1-3-9(7-10)15-14(18)11-8-12(19-16-11)13-5-2-6-20-13/h1-8,17H,(H,15,18)
InChIKeyRDFVKBBDZCEXQZ-UHFFFAOYSA-N
XLogP3.36
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(2-hydroxy-5-methylphenyl)-5-(2-thienyl)-3-isoxazolecarboxamide
CID 17253067
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(4-methoxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253078
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
N-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-cyclopentyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3242425
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
N-(2-ethylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 3337764

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17253072) is N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(O)c1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RDFVKBBDZCEXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-10-4-1-3-9(7-10)15-14(18)11-8-12(19-16-11)13-5-2-6-20-13/h1-8,17H,(H,15,18).
What are the key properties of N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).