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

C13H10N2O2S2 — CID 3238191

IUPAC5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H10N2O2S2/c16-13(14-8-9-3-1-5-18-9)10-7-11(17-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16)
InChIKeyYNPVFQYCWOGCIR-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.39
Rot. Bonds4

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

5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3238191) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID3238191
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H10N2O2S2/c16-13(14-8-9-3-1-5-18-9)10-7-11(17-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16)
InChIKeyYNPVFQYCWOGCIR-UHFFFAOYSA-N
XLogP3.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
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-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
N-(2-cyanoethyl)-5-methyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 2813037
N-(3-hydroxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253072
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-(propan-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 2745205
N-(2-furylmethyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3238382
N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 3241096

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 3238191) is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccs1)c1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YNPVFQYCWOGCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c16-13(14-8-9-3-1-5-18-9)10-7-11(17-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16).
What are the key properties of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).