1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid

C9H10N2O4 — CID 81158788

IUPAC1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccon1
InChIInChI=1S/C9H10N2O4/c12-7(6-2-5-15-11-6)10-9(8(13)14)3-1-4-9/h2,5H,1,3-4H2,(H,10,12)(H,13,14)
InChIKeyGZKFCJSEIHAWQO-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.41
Rot. Bonds3

About 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid

1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid (PubChem CID 81158788) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
PubChem CID81158788
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccon1
InChIInChI=1S/C9H10N2O4/c12-7(6-2-5-15-11-6)10-9(8(13)14)3-1-4-9/h2,5H,1,3-4H2,(H,10,12)(H,13,14)
InChIKeyGZKFCJSEIHAWQO-UHFFFAOYSA-N
XLogP0.41
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910187
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157567
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912936
1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158869
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 166277162
1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid (CID 81158788) is 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccon1.
What is the InChIKey of 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is GZKFCJSEIHAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-7(6-2-5-15-11-6)10-9(8(13)14)3-1-4-9/h2,5H,1,3-4H2,(H,10,12)(H,13,14).
What are the key properties of 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid?
1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).