1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine

C17H24N2O — CID 82357650

IUPAC1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2oc(CCC3CCCCC3)nc2c1
InChIInChI=1S/C17H24N2O/c1-18-12-14-7-9-16-15(11-14)19-17(20-16)10-8-13-5-3-2-4-6-13/h7,9,11,13,18H,2-6,8,10,12H2,1H3
InChIKeyXFXQIEXYOKRNTJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine

1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine (PubChem CID 82357650) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
PubChem CID82357650
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2oc(CCC3CCCCC3)nc2c1
InChIInChI=1S/C17H24N2O/c1-18-12-14-7-9-16-15(11-14)19-17(20-16)10-8-13-5-3-2-4-6-13/h7,9,11,13,18H,2-6,8,10,12H2,1H3
InChIKeyXFXQIEXYOKRNTJ-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine 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

2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol
CID 82162918
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
CID 82230271
1-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 43554598
5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole
CID 10538608
3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide
CID 70781094
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile
CID 23460820
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662
2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357625
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
CID 60918378

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine (CID 82357650) is 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine is CNCc1ccc2oc(CCC3CCCCC3)nc2c1.
What is the InChIKey of 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The InChIKey is XFXQIEXYOKRNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-12-14-7-9-16-15(11-14)19-17(20-16)10-8-13-5-3-2-4-6-13/h7,9,11,13,18H,2-6,8,10,12H2,1H3.
What are the key properties of 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine has a molecular weight of 272.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82357650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).