N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine

C21H18N2O — CID 10380926

IUPACN-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc(CC(Nc2nc3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/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/h1-14,19H,15H2,(H,22,23)
InChIKeyVHBLFRHLLOVWKQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.22
Rot. Bonds5

About N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine

N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine (PubChem CID 10380926) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
PubChem CID10380926
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc(CC(Nc2nc3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/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/h1-14,19H,15H2,(H,22,23)
InChIKeyVHBLFRHLLOVWKQ-UHFFFAOYSA-N
XLogP5.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine (CID 10380926) is N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine is c1ccc(CC(Nc2nc3ccccc3o2)c2ccccc2)cc1.
What is the InChIKey of N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is VHBLFRHLLOVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/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/h1-14,19H,15H2,(H,22,23).
What are the key properties of N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 314.39 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10380926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).