3-cyclopropyl-2,1-benzoxazol-5-amine

C10H10N2O — CID 105435770

IUPAC3-cyclopropyl-2,1-benzoxazol-5-amine
SMILESNc1ccc2noc(C3CC3)c2c1
InChIInChI=1S/C10H10N2O/c11-7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h3-6H,1-2,11H2
InChIKeyXJHUHSUKTOIDDL-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.29
Rot. Bonds1

About 3-cyclopropyl-2,1-benzoxazol-5-amine

3-cyclopropyl-2,1-benzoxazol-5-amine (PubChem CID 105435770) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-cyclopropyl-2,1-benzoxazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-2,1-benzoxazol-5-amine
PubChem CID105435770
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-cyclopropyl-2,1-benzoxazol-5-amine
SMILESNc1ccc2noc(C3CC3)c2c1
InChIInChI=1S/C10H10N2O/c11-7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h3-6H,1-2,11H2
InChIKeyXJHUHSUKTOIDDL-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine
CID 105470000
(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine
CID 105488359
6-cyclopropyl-2,1-benzoxazol-3-amine
CID 166607767
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole
CID 84808001
4-(oxolan-2-ylmethoxy)quinazolin-6-amine
CID 64590316
5-cyclopropyl-3-methyl-4-(4-methyl-2-pyridinyl)-1,2-oxazole
CID 142624823
5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199156
5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-amine
CID 82414163
3-methoxy-1,2-benzoxazol-5-amine
CID 83668440
3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile
CID 131558836
6-amino-3-(oxan-4-yl)quinazolin-4-one
CID 170377229

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,1-benzoxazol-5-amine?
The IUPAC name of 3-cyclopropyl-2,1-benzoxazol-5-amine (CID 105435770) is 3-cyclopropyl-2,1-benzoxazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-2,1-benzoxazol-5-amine?
The canonical SMILES for 3-cyclopropyl-2,1-benzoxazol-5-amine is Nc1ccc2noc(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-2,1-benzoxazol-5-amine?
The InChIKey is XJHUHSUKTOIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h3-6H,1-2,11H2.
What are the key properties of 3-cyclopropyl-2,1-benzoxazol-5-amine?
3-cyclopropyl-2,1-benzoxazol-5-amine has a molecular weight of 174.20 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,1-benzoxazol-5-amine is sourced from PubChem (CID 105435770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).