3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine

C17H18N2O — CID 140994751

IUPAC3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine
SMILESCC(CC(N)c1ccccc1)c1noc2ccccc12
InChIInChI=1S/C17H18N2O/c1-12(11-15(18)13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)20-19-17/h2-10,12,15H,11,18H2,1H3
InChIKeyHOBBXVUFLGTDPK-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.02
Rot. Bonds4

About 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine

3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine (PubChem CID 140994751) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine
PubChem CID140994751
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine
SMILESCC(CC(N)c1ccccc1)c1noc2ccccc12
InChIInChI=1S/C17H18N2O/c1-12(11-15(18)13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)20-19-17/h2-10,12,15H,11,18H2,1H3
InChIKeyHOBBXVUFLGTDPK-UHFFFAOYSA-N
XLogP4.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-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

Related Compounds

1-(1,2-benzoxazol-3-yl)ethanesulfinamide
CID 166937430
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
benzyl 2-(1,2-benzoxazol-3-yl)propanoate
CID 134527830
1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide
CID 162436350
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
(2S,3R)-3-(1,2-benzoxazol-3-yl)-4-(4-chlorophenyl)butan-2-amine
CID 129383877
3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid
CID 82396094
1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
CID 83832884
(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558
1-(1,2-benzoxazol-3-yl)propane-1-sulfonic acid
CID 167261210
(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol
CID 50998989
1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
CID 15550302

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine?
The IUPAC name of 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine (CID 140994751) is 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine?
The canonical SMILES for 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine is CC(CC(N)c1ccccc1)c1noc2ccccc12.
What is the InChIKey of 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine?
The InChIKey is HOBBXVUFLGTDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(11-15(18)13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)20-19-17/h2-10,12,15H,11,18H2,1H3.
What are the key properties of 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine?
3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine is sourced from PubChem (CID 140994751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).