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

C8H6N2O2S — CID 776505

IUPAC3-thiophen-2-yl-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2cccs2)no1
InChIInChI=1S/C8H6N2O2S/c9-8(11)6-4-5(10-12-6)7-2-1-3-13-7/h1-4H,(H2,9,11)
InChIKeyGQXQNFMDEKWHQO-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.50
Rot. Bonds2

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

3-thiophen-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 776505) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-thiophen-2-yl-1,2-oxazole-5-carboxamide
PubChem CID776505
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name3-thiophen-2-yl-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2cccs2)no1
InChIInChI=1S/C8H6N2O2S/c9-8(11)6-4-5(10-12-6)7-2-1-3-13-7/h1-4H,(H2,9,11)
InChIKeyGQXQNFMDEKWHQO-UHFFFAOYSA-N
XLogP1.50
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate
CID 51496478
5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
CID 102110954
3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
CID 10527502
2,3-dimethyl-6-thiophen-2-ylpyridine-4-carboxamide
CID 154466678
5-(2-fluorophenyl)-3-thiophen-2-yl-1,2-oxazole
CID 99964161
3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
CID 175861670
4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 11367830
3-carbamoyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 71419452
3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 175872108
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
CID 3146119
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-thiophen-2-yl-1,2-oxazole-5-carboxamide (CID 776505) is 3-thiophen-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-thiophen-2-yl-1,2-oxazole-5-carboxamide is NC(=O)c1cc(-c2cccs2)no1.
What is the InChIKey of 3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is GQXQNFMDEKWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c9-8(11)6-4-5(10-12-6)7-2-1-3-13-7/h1-4H,(H2,9,11).
What are the key properties of 3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
3-thiophen-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 776505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).