(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine

C13H16N2O — CID 105470000

IUPAC(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine
SMILESNCc1ccc2noc(C3CCCC3)c2c1
InChIInChI=1S/C13H16N2O/c14-8-9-5-6-12-11(7-9)13(16-15-12)10-3-1-2-4-10/h5-7,10H,1-4,8,14H2
InChIKeyPECBLRGHHFJDPQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.94
Rot. Bonds2

About (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine

(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine (PubChem CID 105470000) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine
PubChem CID105470000
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine
SMILESNCc1ccc2noc(C3CCCC3)c2c1
InChIInChI=1S/C13H16N2O/c14-8-9-5-6-12-11(7-9)13(16-15-12)10-3-1-2-4-10/h5-7,10H,1-4,8,14H2
InChIKeyPECBLRGHHFJDPQ-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine
CID 105488359
3-cyclopropyl-2,1-benzoxazol-5-amine
CID 105435770
(4-cyclohexylphenyl)methanamine
CID 22246867
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
(5-chloro-2,1-benzoxazol-3-yl)methanamine
CID 105440337
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
CID 79557488
(3-cyclohexylimidazo[1,5-a]pyridin-7-yl)methanamine
CID 83840212
(5-cyclobutyl-1,2-oxazol-4-yl)methanamine
CID 105429702
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
CID 65165629
[3-(oxan-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143251

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine?
The IUPAC name of (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine (CID 105470000) is (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine.
What is the SMILES notation for (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine?
The canonical SMILES for (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine is NCc1ccc2noc(C3CCCC3)c2c1.
What is the InChIKey of (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine?
The InChIKey is PECBLRGHHFJDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-9-5-6-12-11(7-9)13(16-15-12)10-3-1-2-4-10/h5-7,10H,1-4,8,14H2.
What are the key properties of (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine?
(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine is sourced from PubChem (CID 105470000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).