N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H12N2O2S — CID 3244595

IUPACN-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H12N2O2S/c18-15(16-10-11-5-2-1-3-6-11)12-9-13(19-17-12)14-7-4-8-20-14/h1-9H,10H2,(H,16,18)
InChIKeyNHTJXTSKLXVCAI-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.33
Rot. Bonds4

About N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3244595) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3244595
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H12N2O2S/c18-15(16-10-11-5-2-1-3-6-11)12-9-13(19-17-12)14-7-4-8-20-14/h1-9H,10H2,(H,16,18)
InChIKeyNHTJXTSKLXVCAI-UHFFFAOYSA-N
XLogP3.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
(R)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl)isoxazole-3-carboxamide
CID 90345378
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
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
N-(2-cyanoethyl)-5-methyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 2813037
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3244595) is N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NHTJXTSKLXVCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(16-10-11-5-2-1-3-6-11)12-9-13(19-17-12)14-7-4-8-20-14/h1-9H,10H2,(H,16,18).
What are the key properties of N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3244595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).