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

C18H17NO2 — CID 70884173

IUPAC[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
SMILESCC1(C)COC(c2ccc(C(=O)c3ccccc3)cc2)=N1
InChIInChI=1S/C18H17NO2/c1-18(2)12-21-17(19-18)15-10-8-14(9-11-15)16(20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyXEXAQTASGUKANI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.47
Rot. Bonds3

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

[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone (PubChem CID 70884173) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
PubChem CID70884173
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
SMILESCC1(C)COC(c2ccc(C(=O)c3ccccc3)cc2)=N1
InChIInChI=1S/C18H17NO2/c1-18(2)12-21-17(19-18)15-10-8-14(9-11-15)16(20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyXEXAQTASGUKANI-UHFFFAOYSA-N
XLogP3.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(2S)-2-amino-3-hydroxy-2-methylpropoxy]methyl]phenyl]-4-(4-methylphenyl)butan-1-one;hydrochloride
CID 118707200
(4-Chloro-phenyl)-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-methanone
CID 10358236
[(E)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-methoxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 5491458
((Z)-C-(4-(2,2-Dimethylpropanoyl)phenyl)-N-methoxycarbonimidoyl)4-(2,2-dimethylpropanoyl)benzoate
CID 6918214
(4-chlorophenyl)-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanone
CID 384079
Methanone, [4-(ethoxymethyl)phenyl]phenyl-
CID 3085642
methyl 4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 740239
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methyl 4-tert-butylbenzoate
CID 2732889
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-propan-2-yloxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10551568
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10719065
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-prop-2-enoxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10765923

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone (CID 70884173) is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone is CC1(C)COC(c2ccc(C(=O)c3ccccc3)cc2)=N1.
What is the InChIKey of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
The InChIKey is XEXAQTASGUKANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(2)12-21-17(19-18)15-10-8-14(9-11-15)16(20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone has a molecular weight of 279.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 70884173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).