5-amino-3-cyclobutyl-1,3-benzoxazol-2-one

C11H12N2O2 — CID 165480478

IUPAC5-amino-3-cyclobutyl-1,3-benzoxazol-2-one
SMILESNc1ccc2oc(=O)n(C3CCC3)c2c1
InChIInChI=1S/C11H12N2O2/c12-7-4-5-10-9(6-7)13(11(14)15-10)8-2-1-3-8/h4-6,8H,1-3,12H2
InChIKeyGOLGBSFSYBGTLI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.90
Rot. Bonds1

About 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one

5-amino-3-cyclobutyl-1,3-benzoxazol-2-one (PubChem CID 165480478) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclobutyl-1,3-benzoxazol-2-one
PubChem CID165480478
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-amino-3-cyclobutyl-1,3-benzoxazol-2-one
SMILESNc1ccc2oc(=O)n(C3CCC3)c2c1
InChIInChI=1S/C11H12N2O2/c12-7-4-5-10-9(6-7)13(11(14)15-10)8-2-1-3-8/h4-6,8H,1-3,12H2
InChIKeyGOLGBSFSYBGTLI-UHFFFAOYSA-N
XLogP1.90
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82479715
3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one
CID 54073449
6-amino-3-(cyclobutylmethyl)-1,3-benzoxazol-2-one
CID 65458515
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid
CID 123739597
3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one
CID 60884906
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-[1-(2,2-dichloroacetyl)piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 46081488
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488264
6-amino-3-cyclobutyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588926
5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 46959716
3-cyclopentyl-1,3-benzoxazine-2,4-dione
CID 10331456

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one (CID 165480478) is 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one is Nc1ccc2oc(=O)n(C3CCC3)c2c1.
What is the InChIKey of 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one?
The InChIKey is GOLGBSFSYBGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-7-4-5-10-9(6-7)13(11(14)15-10)8-2-1-3-8/h4-6,8H,1-3,12H2.
What are the key properties of 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one?
5-amino-3-cyclobutyl-1,3-benzoxazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclobutyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 165480478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).