N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine

C24H30N2O — CID 10428758

IUPACN-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)c1ccc2oc(NC(CC3CCCCC3)c3ccccc3)nc2c1
InChIInChI=1S/C24H30N2O/c1-17(2)20-13-14-23-22(16-20)26-24(27-23)25-21(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h4,7-8,11-14,16-18,21H,3,5-6,9-10,15H2,1-2H3,(H,25,26)
InChIKeyLSJCKUNUTBUTBX-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.07
Rot. Bonds6

About N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine

N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 10428758) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID10428758
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)c1ccc2oc(NC(CC3CCCCC3)c3ccccc3)nc2c1
InChIInChI=1S/C24H30N2O/c1-17(2)20-13-14-23-22(16-20)26-24(27-23)25-21(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h4,7-8,11-14,16-18,21H,3,5-6,9-10,15H2,1-2H3,(H,25,26)
InChIKeyLSJCKUNUTBUTBX-UHFFFAOYSA-N
XLogP7.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.07
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)-5-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine (CID 10428758) is N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine is CC(C)c1ccc2oc(NC(CC3CCCCC3)c3ccccc3)nc2c1.
What is the InChIKey of N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is LSJCKUNUTBUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17(2)20-13-14-23-22(16-20)26-24(27-23)25-21(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h4,7-8,11-14,16-18,21H,3,5-6,9-10,15H2,1-2H3,(H,25,26).
What are the key properties of N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine?
N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 362.52 g/mol, XLogP of 7.07, 6 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)-5-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10428758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).