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

C14H18N2O — CID 82231333

IUPAC2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1cc(N)cc2nc(C3CCCC3)oc12
InChIInChI=1S/C14H18N2O/c1-2-9-7-11(15)8-12-13(9)17-14(16-12)10-5-3-4-6-10/h7-8,10H,2-6,15H2,1H3
InChIKeyOOZAQKOFWSMVNW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.63
Rot. Bonds2

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

2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine (PubChem CID 82231333) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
PubChem CID82231333
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1cc(N)cc2nc(C3CCCC3)oc12
InChIInChI=1S/C14H18N2O/c1-2-9-7-11(15)8-12-13(9)17-14(16-12)10-5-3-4-6-10/h7-8,10H,2-6,15H2,1H3
InChIKeyOOZAQKOFWSMVNW-UHFFFAOYSA-N
XLogP3.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.63
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

7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 82231334
2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396380
1-(7-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone
CID 82230704
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
2-cyclopentyl-5-methyl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 115030156
N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
CID 122623685
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine (CID 82231333) is 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine is CCc1cc(N)cc2nc(C3CCCC3)oc12.
What is the InChIKey of 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine?
The InChIKey is OOZAQKOFWSMVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-9-7-11(15)8-12-13(9)17-14(16-12)10-5-3-4-6-10/h7-8,10H,2-6,15H2,1H3.
What are the key properties of 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine?
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82231333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).