N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine

C21H24N2O — CID 10064642

IUPACN-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc(C(CC2CCCCC2)Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C21H24N2O/c1-3-9-16(10-4-1)15-19(17-11-5-2-6-12-17)23-21-22-18-13-7-8-14-20(18)24-21/h2,5-8,11-14,16,19H,1,3-4,9-10,15H2,(H,22,23)
InChIKeyWWAZRAFNGGFISA-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.95
Rot. Bonds5

About N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine

N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine (PubChem CID 10064642) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine
PubChem CID10064642
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc(C(CC2CCCCC2)Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C21H24N2O/c1-3-9-16(10-4-1)15-19(17-11-5-2-6-12-17)23-21-22-18-13-7-8-14-20(18)24-21/h2,5-8,11-14,16,19H,1,3-4,9-10,15H2,(H,22,23)
InChIKeyWWAZRAFNGGFISA-UHFFFAOYSA-N
XLogP5.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine (CID 10064642) is N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine is c1ccc(C(CC2CCCCC2)Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is WWAZRAFNGGFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-9-16(10-4-1)15-19(17-11-5-2-6-12-17)23-21-22-18-13-7-8-14-20(18)24-21/h2,5-8,11-14,16,19H,1,3-4,9-10,15H2,(H,22,23).
What are the key properties of N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine?
N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 320.44 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10064642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).