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

C13H16N2O — CID 115004084

IUPAC3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
SMILESNCCCc1ncc(Cc2ccccc2)o1
InChIInChI=1S/C13H16N2O/c14-8-4-7-13-15-10-12(16-13)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,14H2
InChIKeyVFBLVIURWJFSPV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.16
Rot. Bonds5

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

3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine (PubChem CID 115004084) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
PubChem CID115004084
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
SMILESNCCCc1ncc(Cc2ccccc2)o1
InChIInChI=1S/C13H16N2O/c14-8-4-7-13-15-10-12(16-13)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,14H2
InChIKeyVFBLVIURWJFSPV-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178534
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115006523
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine
CID 112518620
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine
CID 112605694
3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179205
benzene;3-phenylpropan-1-amine
CID 174865683
1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one
CID 115086676
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310

Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine (CID 115004084) is 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine is NCCCc1ncc(Cc2ccccc2)o1.
What is the InChIKey of 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine?
The InChIKey is VFBLVIURWJFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-4-7-13-15-10-12(16-13)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,14H2.
What are the key properties of 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine?
3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine is sourced from PubChem (CID 115004084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).