1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine

C14H18N2O — CID 65179120

IUPAC1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C14H18N2O/c1-11(15)14-16-10-13(17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9,15H2,1H3
InChIKeyFENGHANDIMDDNX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds5

About 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine

1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65179120) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65179120
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C14H18N2O/c1-11(15)14-16-10-13(17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9,15H2,1H3
InChIKeyFENGHANDIMDDNX-UHFFFAOYSA-N
XLogP2.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180038
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
N-methyl-1-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65181841
1-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethanamine
CID 65179175
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
2-methyl-N-[[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184071
1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178744
(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 138039801
1-[5-(3-phenylpropyl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 82568184
1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine
CID 166554301
2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178534
5-isocyano-2-(7-phenylheptan-2-yl)-1,3-oxazole
CID 59248871

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine (CID 65179120) is 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(CCCc2ccccc2)o1.
What is the InChIKey of 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is FENGHANDIMDDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(15)14-16-10-13(17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9,15H2,1H3.
What are the key properties of 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65179120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).