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

C12H12N2O2S — CID 24794414

IUPACN-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H12N2O2S/c15-12(13-8-3-1-4-8)9-7-10(16-14-9)11-5-2-6-17-11/h2,5-8H,1,3-4H2,(H,13,15)
InChIKeyCQCYGMHIRXIDCD-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.69
Rot. Bonds3

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

N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 24794414) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID24794414
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H12N2O2S/c15-12(13-8-3-1-4-8)9-7-10(16-14-9)11-5-2-6-17-11/h2,5-8H,1,3-4H2,(H,13,15)
InChIKeyCQCYGMHIRXIDCD-UHFFFAOYSA-N
XLogP2.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 90634916
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 124760825
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-cyclopropyl-5-(2-thiophen-2-ylethenyl)-1,2-oxazole-3-carboxamide
CID 74335612
1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157567

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 24794414) is N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NC1CCC1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CQCYGMHIRXIDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(13-8-3-1-4-8)9-7-10(16-14-9)11-5-2-6-17-11/h2,5-8H,1,3-4H2,(H,13,15).
What are the key properties of N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).