[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone

C24H21NO2 — CID 13433200

IUPAC[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone
SMILESCC1(C)COC(c2cccc(-c3ccccc3)c2C(=O)c2ccccc2)=N1
InChIInChI=1S/C24H21NO2/c1-24(2)16-27-23(25-24)20-15-9-14-19(17-10-5-3-6-11-17)21(20)22(26)18-12-7-4-8-13-18/h3-15H,16H2,1-2H3
InChIKeyVAPRZMUAQUQKEI-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.14
Rot. Bonds4

About [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone

[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone (PubChem CID 13433200) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone
PubChem CID13433200
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone
SMILESCC1(C)COC(c2cccc(-c3ccccc3)c2C(=O)c2ccccc2)=N1
InChIInChI=1S/C24H21NO2/c1-24(2)16-27-23(25-24)20-15-9-14-19(17-10-5-3-6-11-17)21(20)22(26)18-12-7-4-8-13-18/h3-15H,16H2,1-2H3
InChIKeyVAPRZMUAQUQKEI-UHFFFAOYSA-N
XLogP5.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone?
The IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone (CID 13433200) is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone?
The canonical SMILES for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone is CC1(C)COC(c2cccc(-c3ccccc3)c2C(=O)c2ccccc2)=N1.
What is the InChIKey of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone?
The InChIKey is VAPRZMUAQUQKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-24(2)16-27-23(25-24)20-15-9-14-19(17-10-5-3-6-11-17)21(20)22(26)18-12-7-4-8-13-18/h3-15H,16H2,1-2H3.
What are the key properties of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone?
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone has a molecular weight of 355.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone is sourced from PubChem (CID 13433200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).