methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole

C24H31NO2 — CID 161198948

IUPACmethane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole
SMILESC.CC(=O)C(C)(C)c1ccccc1.CC(C)(c1ccccc1)c1cocn1
InChIInChI=1S/C12H13NO.C11H14O.CH4/c1-12(2,11-8-14-9-13-11)10-6-4-3-5-7-10;1-9(12)11(2,3)10-7-5-4-6-8-10;/h3-9H,1-2H3;4-8H,1-3H3;1H4
InChIKeyUUSKKDBAILXQMK-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.19
Rot. Bonds4

About methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole

methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole (PubChem CID 161198948) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Namemethane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole
PubChem CID161198948
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Namemethane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole
SMILESC.CC(=O)C(C)(C)c1ccccc1.CC(C)(c1ccccc1)c1cocn1
InChIInChI=1S/C12H13NO.C11H14O.CH4/c1-12(2,11-8-14-9-13-11)10-6-4-3-5-7-10;1-9(12)11(2,3)10-7-5-4-6-8-10;/h3-9H,1-2H3;4-8H,1-3H3;1H4
InChIKeyUUSKKDBAILXQMK-UHFFFAOYSA-N
XLogP6.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-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

(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
2-phenylpropan-2-ylbenzene
CID 13065
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
sodium 2-methyl-2-phenylpropanoate
CID 141248267
1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
3-amino-3-phenylpentane-2,4-dione
CID 70119036
2-methyl-2-phenylpropanethioamide
CID 59837413

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole?
The IUPAC name of methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole (CID 161198948) is methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole.
What is the SMILES notation for methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole?
The canonical SMILES for methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole is C.CC(=O)C(C)(C)c1ccccc1.CC(C)(c1ccccc1)c1cocn1.
What is the InChIKey of methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole?
The InChIKey is UUSKKDBAILXQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C11H14O.CH4/c1-12(2,11-8-14-9-13-11)10-6-4-3-5-7-10;1-9(12)11(2,3)10-7-5-4-6-8-10;/h3-9H,1-2H3;4-8H,1-3H3;1H4.
What are the key properties of methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole?
methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole has a molecular weight of 365.52 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole is sourced from PubChem (CID 161198948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).