1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C13H12N2O4S — CID 81157567

IUPAC1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H12N2O4S/c16-11(14-13(12(17)18)4-2-5-13)8-7-9(19-15-8)10-3-1-6-20-10/h1,3,6-7H,2,4-5H2,(H,14,16)(H,17,18)
InChIKeyXGYLMRMIEZERNO-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.14
Rot. Bonds4

About 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81157567) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81157567
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H12N2O4S/c16-11(14-13(12(17)18)4-2-5-13)8-7-9(19-15-8)10-3-1-6-20-10/h1,3,6-7H,2,4-5H2,(H,14,16)(H,17,18)
InChIKeyXGYLMRMIEZERNO-UHFFFAOYSA-N
XLogP2.14
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81158788
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81157567) is 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(-c2cccs2)on1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is XGYLMRMIEZERNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-11(14-13(12(17)18)4-2-5-13)8-7-9(19-15-8)10-3-1-6-20-10/h1,3,6-7H,2,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81157567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).