(1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine

C22H21N3O — CID 164915384

IUPAC(1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCC(C)(c1ccccn1)[C@H](N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C22H21N3O/c1-22(2,19-13-7-8-14-24-19)21(23)16-10-4-3-9-15(16)20-17-11-5-6-12-18(17)26-25-20/h3-14,21H,23H2,1-2H3/t21-/m1/s1
InChIKeyQCOKOWVDFLBPID-OAQYLSRUSA-N
MW343.43 g/mol
LogP4.87
Rot. Bonds4

About (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine

(1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 164915384) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine
PubChem CID164915384
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCC(C)(c1ccccn1)[C@H](N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C22H21N3O/c1-22(2,19-13-7-8-14-24-19)21(23)16-10-4-3-9-15(16)20-17-11-5-6-12-18(17)26-25-20/h3-14,21H,23H2,1-2H3/t21-/m1/s1
InChIKeyQCOKOWVDFLBPID-OAQYLSRUSA-N
XLogP4.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine (CID 164915384) is (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine is CC(C)(c1ccccn1)[C@H](N)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is QCOKOWVDFLBPID-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21N3O/c1-22(2,19-13-7-8-14-24-19)21(23)16-10-4-3-9-15(16)20-17-11-5-6-12-18(17)26-25-20/h3-14,21H,23H2,1-2H3/t21-/m1/s1.
What are the key properties of (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine?
(1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 343.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-methyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 164915384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).