2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one

C20H21NO2 — CID 86102956

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one
SMILESCC1(C)COC(C(Cc2ccccc2)C(=O)c2ccccc2)=N1
InChIInChI=1S/C20H21NO2/c1-20(2)14-23-19(21-20)17(13-15-9-5-3-6-10-15)18(22)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeyVDQGGJWVRCKUJA-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.94
Rot. Bonds5

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one (PubChem CID 86102956) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one
PubChem CID86102956
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one
SMILESCC1(C)COC(C(Cc2ccccc2)C(=O)c2ccccc2)=N1
InChIInChI=1S/C20H21NO2/c1-20(2)14-23-19(21-20)17(13-15-9-5-3-6-10-15)18(22)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeyVDQGGJWVRCKUJA-UHFFFAOYSA-N
XLogP3.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one 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

Tgg-II-23A
CID 370786
1-(4,4-Dimethyl-4,5-dihydro-2-oxazolyl)-1-methyl-4-isopropylnaphthalen-2(1H)-one
CID 370784
1-(4,4-Dimethyl-4,5-dihydro-2-oxazolyl)-1-methyl-4-phenylnaphthalen-2(1H)-one
CID 370787
1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-naphthalen-2-one
CID 455270
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
1-(4-(Tert-butyl)phenyl)-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)ethanone
CID 7471343
Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-
CID 12296631
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
CID 7471340
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
CID 11244366
4-Cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazol-5-one
CID 11255123
3-Phenyl-4-benzoyl-2-isoxazoline
CID 14642167
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one (CID 86102956) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one is CC1(C)COC(C(Cc2ccccc2)C(=O)c2ccccc2)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one?
The InChIKey is VDQGGJWVRCKUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2)14-23-19(21-20)17(13-15-9-5-3-6-10-15)18(22)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one has a molecular weight of 307.39 g/mol, XLogP of 3.94, 5 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)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 86102956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).