(5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone

C14H15NO2 — CID 82288411

IUPAC(5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone
SMILESCc1oncc1C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H15NO2/c1-9(2)11-4-6-12(7-5-11)14(16)13-8-15-17-10(13)3/h4-9H,1-3H3
InChIKeyJCWBKJILWNJTFE-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.34
Rot. Bonds3

About (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone

(5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 82288411) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID82288411
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone
SMILESCc1oncc1C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H15NO2/c1-9(2)11-4-6-12(7-5-11)14(16)13-8-15-17-10(13)3/h4-9H,1-3H3
InChIKeyJCWBKJILWNJTFE-UHFFFAOYSA-N
XLogP3.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 850733
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82294568
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
(2-fluorophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82282946
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046
N-(4-phenyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzamide
CID 110402056
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
(4-chloro-2-nitrophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 54005429

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone (CID 82288411) is (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone is Cc1oncc1C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is JCWBKJILWNJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)11-4-6-12(7-5-11)14(16)13-8-15-17-10(13)3/h4-9H,1-3H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone?
(5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 229.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 82288411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).