5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine

C12H13ClN2O — CID 82231734

IUPAC5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
SMILESNc1cc(Cl)cc2nc(C3CCCC3)oc12
InChIInChI=1S/C12H13ClN2O/c13-8-5-9(14)11-10(6-8)15-12(16-11)7-3-1-2-4-7/h5-7H,1-4,14H2
InChIKeyRJMZAADXASGPKV-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.72
Rot. Bonds1

About 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine

5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine (PubChem CID 82231734) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
PubChem CID82231734
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
SMILESNc1cc(Cl)cc2nc(C3CCCC3)oc12
InChIInChI=1S/C12H13ClN2O/c13-8-5-9(14)11-10(6-8)15-12(16-11)7-3-1-2-4-7/h5-7H,1-4,14H2
InChIKeyRJMZAADXASGPKV-UHFFFAOYSA-N
XLogP3.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.72
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

2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
1-(7-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone
CID 82230704
6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
CID 82232727
7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
2-cyclopentyl-5-methyl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 115030156
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 82231334
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
2-cyclobutyl-[1,3]oxazolo[4,5-b]pyridin-7-amine
CID 84661980
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine?
The IUPAC name of 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine (CID 82231734) is 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine is Nc1cc(Cl)cc2nc(C3CCCC3)oc12.
What is the InChIKey of 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine?
The InChIKey is RJMZAADXASGPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-8-5-9(14)11-10(6-8)15-12(16-11)7-3-1-2-4-7/h5-7H,1-4,14H2.
What are the key properties of 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine?
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine has a molecular weight of 236.70 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82231734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).