[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine

C17H24N2O — CID 117434048

IUPAC[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
SMILESCC(C)(C)c1nc2cc(C3(CN)CCCC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-16(2,3)15-19-13-10-12(6-7-14(13)20-15)17(11-18)8-4-5-9-17/h6-7,10H,4-5,8-9,11,18H2,1-3H3
InChIKeyJUCXUKAXRJLOFU-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.90
Rot. Bonds2

About [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine

[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine (PubChem CID 117434048) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
PubChem CID117434048
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
SMILESCC(C)(C)c1nc2cc(C3(CN)CCCC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-16(2,3)15-19-13-10-12(6-7-14(13)20-15)17(11-18)8-4-5-9-17/h6-7,10H,4-5,8-9,11,18H2,1-3H3
InChIKeyJUCXUKAXRJLOFU-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117462140
[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117434056
1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxylic acid
CID 117401713
[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117360718
[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
CID 117482514
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
[1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclohexyl]methanamine
CID 117487447
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
2-(2-tert-butyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 84682785
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine (CID 117434048) is [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine is CC(C)(C)c1nc2cc(C3(CN)CCCC3)ccc2o1.
What is the InChIKey of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine?
The InChIKey is JUCXUKAXRJLOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2,3)15-19-13-10-12(6-7-14(13)20-15)17(11-18)8-4-5-9-17/h6-7,10H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine?
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117434048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).