1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine

C13H16N2O — CID 166554301

IUPAC1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1ncco1
InChIInChI=1S/C13H16N2O/c14-12(13-15-9-10-16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8,14H2
InChIKeyISVKHLNDJJDBGR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.70
Rot. Bonds5

About 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine

1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine (PubChem CID 166554301) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine
PubChem CID166554301
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1ncco1
InChIInChI=1S/C13H16N2O/c14-12(13-15-9-10-16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8,14H2
InChIKeyISVKHLNDJJDBGR-UHFFFAOYSA-N
XLogP2.70
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-oxazol-2-yl)-4-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-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide
CID 167271474
2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol
CID 22284675
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
4-phenyl-1-quinolin-7-ylbutan-1-amine
CID 105172595
6-(6-phenylhexan-3-yl)pyrimidin-4-amine
CID 123608514
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
(1S)-1-[(2S,3R)-3-[(1S)-1-amino-4-phenylbutyl]oxiran-2-yl]-4-phenylbutan-1-amine
CID 22867494
6-phenyl-3-propan-2-ylhexan-2-amine
CID 62915093
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine (CID 166554301) is 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine is NC(CCCc1ccccc1)c1ncco1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine?
The InChIKey is ISVKHLNDJJDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-12(13-15-9-10-16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8,14H2.
What are the key properties of 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine?
1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 166554301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).