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

C19H19NO2 — CID 15892645

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
SMILESCC1(C)COC(C(=O)C(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-19(2)13-22-18(20-19)17(21)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyILEWUFAOKSSQFM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.59
Rot. Bonds4

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

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone (PubChem CID 15892645) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
PubChem CID15892645
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
SMILESCC1(C)COC(C(=O)C(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-19(2)13-22-18(20-19)17(21)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyILEWUFAOKSSQFM-UHFFFAOYSA-N
XLogP3.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-
CID 12296631
1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-prop-2-enyl-9H-phenanthren-9-yl]ethanone
CID 399176
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
CID 11244366
(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone
CID 155666051
(2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazol-5-yl)-phenylmethanone
CID 155666059
1-(4,5-Dihydro-1,3-oxazol-2-yl)-2-phenylethanone
CID 174317175
(2R)-3-(4,5-dihydro-1,3-oxazole-2-carbonyl)-2-methyl-5-phenylpentanal
CID 174903196
1-(4,5-Dihydro-1,3-oxazol-2-yl)-2-(2-methylphenyl)ethanone
CID 175197340
1-(4,5-Dihydro-1,3-oxazol-2-yl)-3-phenylpropan-1-one
CID 175207422
(2R)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethyl-4-phenylbutan-1-one
CID 175319286

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone (CID 15892645) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone is CC1(C)COC(C(=O)C(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone?
The InChIKey is ILEWUFAOKSSQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2)13-22-18(20-19)17(21)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone has a molecular weight of 293.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone is sourced from PubChem (CID 15892645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).