2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol

C16H15NO2 — CID 136749627

IUPAC2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1ccccc1C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C16H15NO2/c18-15-9-5-4-8-14(15)16-17-13(11-19-16)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2
InChIKeyUFNZMLDIAQROIH-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol

2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 136749627) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID136749627
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1ccccc1C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C16H15NO2/c18-15-9-5-4-8-14(15)16-17-13(11-19-16)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2
InChIKeyUFNZMLDIAQROIH-UHFFFAOYSA-N
XLogP2.78
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol 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

(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11049225
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 25010932
(4S)-4-benzyl-2-[2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496730
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol
CID 135432223
4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
CID 135070410
(4R)-4-benzyl-2-[6-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]dibenzofuran-4-yl]-4,5-dihydro-1,3-oxazole
CID 25139688
N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 102499049
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
CID 46930892
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 136749627) is 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol is Oc1ccccc1C1=NC(Cc2ccccc2)CO1.
What is the InChIKey of 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is UFNZMLDIAQROIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15-9-5-4-8-14(15)16-17-13(11-19-16)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2.
What are the key properties of 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 253.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 136749627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).