3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

C11H13NO — CID 57252224

IUPAC3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-5,8,12H,6-7,9H2
InChIKeyVJOBGOGSSLGJMW-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.04
Rot. Bonds3

About 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57252224) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID57252224
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-5,8,12H,6-7,9H2
InChIKeyVJOBGOGSSLGJMW-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenyloxazine
CID 53643691
N-ethoxy-2-phenylethanamine
CID 54137768
3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
CID 91587883
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123323469
Thiobenzoyloxazin
CID 129634604
Geranyloxyphenethylamine
CID 129710303
N-[(E)-3-phenylprop-2-enoxy]ethanamine
CID 134896875
4-phenyl-3,6-dihydro-2H-oxazine
CID 12580583
3-Methyl-5-phenyl-2,5-dihydro-1,2-oxazole
CID 13739907
3-Phenyl-2,5-dihydro-1,2-oxazole
CID 14642163
3-Benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol
CID 56624458

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 57252224) is 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is C1=C(CCc2ccccc2)NOC1.
What is the InChIKey of 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is VJOBGOGSSLGJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-5,8,12H,6-7,9H2.
What are the key properties of 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57252224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).