4-methyl-3,5-diphenyl-1,3-oxazol-2-one

C16H13NO2 — CID 134935741

IUPAC4-methyl-3,5-diphenyl-1,3-oxazol-2-one
SMILESCc1c(-c2ccccc2)oc(=O)n1-c1ccccc1
InChIInChI=1S/C16H13NO2/c1-12-15(13-8-4-2-5-9-13)19-16(18)17(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyITAXKUKODYYZHH-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.41
Rot. Bonds2

About 4-methyl-3,5-diphenyl-1,3-oxazol-2-one

4-methyl-3,5-diphenyl-1,3-oxazol-2-one (PubChem CID 134935741) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methyl-3,5-diphenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-methyl-3,5-diphenyl-1,3-oxazol-2-one
PubChem CID134935741
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-methyl-3,5-diphenyl-1,3-oxazol-2-one
SMILESCc1c(-c2ccccc2)oc(=O)n1-c1ccccc1
InChIInChI=1S/C16H13NO2/c1-12-15(13-8-4-2-5-9-13)19-16(18)17(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyITAXKUKODYYZHH-UHFFFAOYSA-N
XLogP3.41
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
CID 13219285
4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 164684853
3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one
CID 95170020
3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
CID 13007928
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
CID 20768022
1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 13397710
3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione
CID 154131571
5-iodo-6-methyl-1,3-diphenylpyrazin-2-one
CID 86053721
2,4,5-trimethyl-1-phenylpyrrole-3-carbaldehyde
CID 30030220
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578
1,2,6-triphenylpyridin-4-one
CID 13088641
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-diphenyl-1,3-oxazol-2-one?
The IUPAC name of 4-methyl-3,5-diphenyl-1,3-oxazol-2-one (CID 134935741) is 4-methyl-3,5-diphenyl-1,3-oxazol-2-one.
What is the SMILES notation for 4-methyl-3,5-diphenyl-1,3-oxazol-2-one?
The canonical SMILES for 4-methyl-3,5-diphenyl-1,3-oxazol-2-one is Cc1c(-c2ccccc2)oc(=O)n1-c1ccccc1.
What is the InChIKey of 4-methyl-3,5-diphenyl-1,3-oxazol-2-one?
The InChIKey is ITAXKUKODYYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-12-15(13-8-4-2-5-9-13)19-16(18)17(12)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 4-methyl-3,5-diphenyl-1,3-oxazol-2-one?
4-methyl-3,5-diphenyl-1,3-oxazol-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-diphenyl-1,3-oxazol-2-one is sourced from PubChem (CID 134935741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).