4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole

C18H19NO — CID 135005230

IUPAC4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)c(C2=NOCC2c2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12-9-13(2)17(14(3)10-12)18-16(11-20-19-18)15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3
InChIKeySNSQXQHRFKZEJY-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.13
Rot. Bonds2

About 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole

4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 135005230) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID135005230
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)c(C2=NOCC2c2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12-9-13(2)17(14(3)10-12)18-16(11-20-19-18)15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3
InChIKeySNSQXQHRFKZEJY-UHFFFAOYSA-N
XLogP4.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-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

(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5R)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561576
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
(5R)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561574
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458
5-Benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 24881471
5-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881548
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881682
5-Benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881751

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole (CID 135005230) is 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole is Cc1cc(C)c(C2=NOCC2c2ccccc2)c(C)c1.
What is the InChIKey of 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SNSQXQHRFKZEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-9-13(2)17(14(3)10-12)18-16(11-20-19-18)15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3.
What are the key properties of 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135005230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).