5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole

C11H13NO — CID 175040461

IUPAC5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(CCc2ccccc2)O1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,9,11H,6-8H2
InChIKeyHXBZEKSKNWDBSU-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.05
Rot. Bonds3

About 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole

5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 175040461) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID175040461
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(CCc2ccccc2)O1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,9,11H,6-8H2
InChIKeyHXBZEKSKNWDBSU-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-phenylethyl)-4,5-dihydro-1,3-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

(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
2-(2-phenylethyl)oxetane
CID 13354102
(2R)-2-(2-phenylethyl)-2,3-dihydropyran-4-one
CID 11171675
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445648
1-phenyl-2-[(2R,4R)-2-(2-phenylethyl)-1,3-dioxan-4-yl]ethanone
CID 122379036
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol
CID 102185556
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
2,5-bis(2-phenylethyl)-2,5-dihydrofuran
CID 177484094
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (CID 175040461) is 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is C1=NCC(CCc2ccccc2)O1.
What is the InChIKey of 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HXBZEKSKNWDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,9,11H,6-8H2.
What are the key properties of 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175040461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).