N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine

C13H16N2O — CID 81170977

IUPACN-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCc2ccon2)cc1
InChIInChI=1S/C13H16N2O/c1-2-5-12(6-3-1)7-4-9-14-11-13-8-10-16-15-13/h1-3,5-6,8,10,14H,4,7,9,11H2
InChIKeyOBAGHLULLMRECO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.40
Rot. Bonds6

About N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine

N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine (PubChem CID 81170977) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine
PubChem CID81170977
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCc2ccon2)cc1
InChIInChI=1S/C13H16N2O/c1-2-5-12(6-3-1)7-4-9-14-11-13-8-10-16-15-13/h1-3,5-6,8,10,14H,4,7,9,11H2
InChIKeyOBAGHLULLMRECO-UHFFFAOYSA-N
XLogP2.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79496120
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895580
(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 79496015
3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 81176934
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
3-(3-phenylpropoxy)-1,2-oxazole
CID 175279668

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine (CID 81170977) is N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine is c1ccc(CCCNCc2ccon2)cc1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine?
The InChIKey is OBAGHLULLMRECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)7-4-9-14-11-13-8-10-16-15-13/h1-3,5-6,8,10,14H,4,7,9,11H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine?
N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 81170977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).