3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine

C13H18N2O — CID 115061130

IUPAC3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine
SMILESNCCCC1COC(Cc2ccccc2)=N1
InChIInChI=1S/C13H18N2O/c14-8-4-7-12-10-16-13(15-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyXVWKYBGWYPLWME-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.77
Rot. Bonds5

About 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine

3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine (PubChem CID 115061130) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine
PubChem CID115061130
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine
SMILESNCCCC1COC(Cc2ccccc2)=N1
InChIInChI=1S/C13H18N2O/c14-8-4-7-12-10-16-13(15-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyXVWKYBGWYPLWME-UHFFFAOYSA-N
XLogP1.77
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine?
The IUPAC name of 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine (CID 115061130) is 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine is NCCCC1COC(Cc2ccccc2)=N1.
What is the InChIKey of 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine?
The InChIKey is XVWKYBGWYPLWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-8-4-7-12-10-16-13(15-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2.
What are the key properties of 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine?
3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine is sourced from PubChem (CID 115061130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).