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

C14H17NO2 — CID 15892642

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H17NO2/c1-10-4-6-11(7-5-10)8-12(16)13-15-14(2,3)9-17-13/h4-7H,8-9H2,1-3H3
InChIKeyZNQCRBUPRFAAID-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.31
Rot. Bonds3

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

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone (PubChem CID 15892642) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone
PubChem CID15892642
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H17NO2/c1-10-4-6-11(7-5-10)8-12(16)13-15-14(2,3)9-17-13/h4-7H,8-9H2,1-3H3
InChIKeyZNQCRBUPRFAAID-UHFFFAOYSA-N
XLogP2.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone
CID 71354584
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
CID 11244366
(4,4-dimethyl-5H-1,3-oxazol-2-yl)-(3-fluorophenyl)methanone
CID 121016013
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645
[4-(4,5-Dihydro-1,3-oxazole-2-carbonyl)phenyl]-(4,5-dihydro-1,3-oxazol-2-yl)methanone
CID 20221175
cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
CID 57178800
3-Ethoxy-1-(4-methylphenyl)butan-2-one
CID 58079375
3-Ethoxy-1-(4-ethylphenyl)butan-2-one
CID 58079376
4,5-Dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone
CID 90815370
5-[(4-propylphenyl)methyl]-2H-1,3-oxazol-2-id-4-one
CID 154411377

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone (CID 15892642) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is ZNQCRBUPRFAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-4-6-11(7-5-10)8-12(16)13-15-14(2,3)9-17-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 2.31, 3 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-(4-methylphenyl)ethanone is sourced from PubChem (CID 15892642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).