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

C14H18N2O — CID 105488359

IUPAC(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine
SMILESNCc1ccc2noc(C3CCCCC3)c2c1
InChIInChI=1S/C14H18N2O/c15-9-10-6-7-13-12(8-10)14(17-16-13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2
InChIKeyFIOWVEGZMCXWFG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.33
Rot. Bonds2

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

(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine (PubChem CID 105488359) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine
PubChem CID105488359
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine
SMILESNCc1ccc2noc(C3CCCCC3)c2c1
InChIInChI=1S/C14H18N2O/c15-9-10-6-7-13-12(8-10)14(17-16-13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2
InChIKeyFIOWVEGZMCXWFG-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine
CID 105470000
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
(3-cyclohexylimidazo[1,5-a]pyridin-7-yl)methanamine
CID 83840212
(5-chloro-2,1-benzoxazol-3-yl)methanamine
CID 105440337
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
CID 79557488
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
(2-cyclobutyl-5-cyclohexylfuran-3-yl)methanamine
CID 165457148
[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine?
The IUPAC name of (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine (CID 105488359) is (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine.
What is the SMILES notation for (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine?
The canonical SMILES for (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine is NCc1ccc2noc(C3CCCCC3)c2c1.
What is the InChIKey of (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine?
The InChIKey is FIOWVEGZMCXWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-9-10-6-7-13-12(8-10)14(17-16-13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2.
What are the key properties of (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine?
(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine is sourced from PubChem (CID 105488359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).