3-ethyl-5-phenyl-2H-1,3-benzoxazole

C15H15NO — CID 20650453

IUPAC3-ethyl-5-phenyl-2H-1,3-benzoxazole
SMILESCCN1COc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H15NO/c1-2-16-11-17-15-9-8-13(10-14(15)16)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyRAXCPWHGTVRNTQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.53
Rot. Bonds2

About 3-ethyl-5-phenyl-2H-1,3-benzoxazole

3-ethyl-5-phenyl-2H-1,3-benzoxazole (PubChem CID 20650453) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethyl-5-phenyl-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-ethyl-5-phenyl-2H-1,3-benzoxazole
PubChem CID20650453
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-ethyl-5-phenyl-2H-1,3-benzoxazole
SMILESCCN1COc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H15NO/c1-2-16-11-17-15-9-8-13(10-14(15)16)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyRAXCPWHGTVRNTQ-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-5-phenyl-2H-1,3-benzoxazole 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

3-ethyl-2H-1,3-benzoxazole
CID 19969378
2,3-dimethyl-5-phenyl-2H-1,3-benzoxazole
CID 23446366
1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole
CID 174457366
1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline
CID 139250047
5,10-dimethyl-2-phenylphenazine
CID 22055373
4-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)butan-1-amine
CID 139929910
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine
CID 57270516
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
The IUPAC name of 3-ethyl-5-phenyl-2H-1,3-benzoxazole (CID 20650453) is 3-ethyl-5-phenyl-2H-1,3-benzoxazole.
What is the SMILES notation for 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
The canonical SMILES for 3-ethyl-5-phenyl-2H-1,3-benzoxazole is CCN1COc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
The InChIKey is RAXCPWHGTVRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-16-11-17-15-9-8-13(10-14(15)16)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
3-ethyl-5-phenyl-2H-1,3-benzoxazole has a molecular weight of 225.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenyl-2H-1,3-benzoxazole is sourced from PubChem (CID 20650453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).