[2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone

C24H21NO2 — CID 164954915

IUPAC[2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone
SMILESCc1ccccc1CC1CC(c2ccccc2C(=O)c2ccccc2)=NO1
InChIInChI=1S/C24H21NO2/c1-17-9-5-6-12-19(17)15-20-16-23(25-27-20)21-13-7-8-14-22(21)24(26)18-10-3-2-4-11-18/h2-14,20H,15-16H2,1H3
InChIKeyBAVJSIIWFLADEE-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.96
Rot. Bonds5

About [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone

[2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone (PubChem CID 164954915) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone
PubChem CID164954915
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name[2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone
SMILESCc1ccccc1CC1CC(c2ccccc2C(=O)c2ccccc2)=NO1
InChIInChI=1S/C24H21NO2/c1-17-9-5-6-12-19(17)15-20-16-23(25-27-20)21-13-7-8-14-22(21)24(26)18-10-3-2-4-11-18/h2-14,20H,15-16H2,1H3
InChIKeyBAVJSIIWFLADEE-UHFFFAOYSA-N
XLogP4.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone?
The IUPAC name of [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone (CID 164954915) is [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone is Cc1ccccc1CC1CC(c2ccccc2C(=O)c2ccccc2)=NO1.
What is the InChIKey of [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone?
The InChIKey is BAVJSIIWFLADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-17-9-5-6-12-19(17)15-20-16-23(25-27-20)21-13-7-8-14-22(21)24(26)18-10-3-2-4-11-18/h2-14,20H,15-16H2,1H3.
What are the key properties of [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone?
[2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone has a molecular weight of 355.44 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 164954915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).