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

C14H17NO2 — CID 86102954

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-10(13-15-14(2,3)9-17-13)12(16)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyPPUMAAIBTKHGER-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.71
Rot. Bonds3

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

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one (PubChem CID 86102954) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one
PubChem CID86102954
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-10(13-15-14(2,3)9-17-13)12(16)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyPPUMAAIBTKHGER-UHFFFAOYSA-N
XLogP2.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol
CID 101346509
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 101350270
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645
cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
CID 57178800
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate
CID 13144018
2,3-dibenzoyl-1,4-diphenyl-2-propan-2-ylbutane-1,4-dione
CID 67309998
(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
CID 135054881
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 104847279
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
CID 11244366
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 113460238

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one (CID 86102954) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)C1=NC(C)(C)CO1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one?
The InChIKey is PPUMAAIBTKHGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(13-15-14(2,3)9-17-13)12(16)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.71, 3 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-phenylpropan-1-one is sourced from PubChem (CID 86102954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).