2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C8H6N2O2S — CID 140775055

IUPAC2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(-c2cccs2)n1
InChIInChI=1S/C8H6N2O2S/c9-7(11)5-4-12-8(10-5)6-2-1-3-13-6/h1-4H,(H2,9,11)
InChIKeyALFXMDBMAFIQBV-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.50
Rot. Bonds2

About 2-thiophen-2-yl-1,3-oxazole-4-carboxamide

2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 140775055) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID140775055
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(-c2cccs2)n1
InChIInChI=1S/C8H6N2O2S/c9-7(11)5-4-12-8(10-5)6-2-1-3-13-6/h1-4H,(H2,9,11)
InChIKeyALFXMDBMAFIQBV-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

2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
4-methoxy-2-thiophen-2-yl-1,3-oxazole
CID 174374567
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)propan-1-ol
CID 115083578
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115083577

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 140775055) is 2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-1,3-oxazole-4-carboxamide is NC(=O)c1coc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ALFXMDBMAFIQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c9-7(11)5-4-12-8(10-5)6-2-1-3-13-6/h1-4H,(H2,9,11).
What are the key properties of 2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
2-thiophen-2-yl-1,3-oxazole-4-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 2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 140775055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).