3-(2-phenylethyl)-1,2-oxazol-5-amine

C11H12N2O — CID 43115680

IUPAC3-(2-phenylethyl)-1,2-oxazol-5-amine
SMILESNc1cc(CCc2ccccc2)no1
InChIInChI=1S/C11H12N2O/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyNZGZLQLPYDXMJG-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.04
Rot. Bonds3

About 3-(2-phenylethyl)-1,2-oxazol-5-amine

3-(2-phenylethyl)-1,2-oxazol-5-amine (PubChem CID 43115680) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-phenylethyl)-1,2-oxazol-5-amine
PubChem CID43115680
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(2-phenylethyl)-1,2-oxazol-5-amine
SMILESNc1cc(CCc2ccccc2)no1
InChIInChI=1S/C11H12N2O/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyNZGZLQLPYDXMJG-UHFFFAOYSA-N
XLogP2.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-phenylethyl)-1,2-oxazol-5-amine (CID 43115680) is 3-(2-phenylethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-phenylethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-phenylethyl)-1,2-oxazol-5-amine is Nc1cc(CCc2ccccc2)no1.
What is the InChIKey of 3-(2-phenylethyl)-1,2-oxazol-5-amine?
The InChIKey is NZGZLQLPYDXMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2.
What are the key properties of 3-(2-phenylethyl)-1,2-oxazol-5-amine?
3-(2-phenylethyl)-1,2-oxazol-5-amine has a molecular weight of 188.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43115680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).