4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone

C11H11NO2 — CID 90815370

IUPAC4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=NCCO2)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)10(13)11-12-6-7-14-11/h2-5H,6-7H2,1H3
InChIKeyUQXDHLKNHAJCMX-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.61
Rot. Bonds2

About 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone

4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone (PubChem CID 90815370) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone
PubChem CID90815370
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=NCCO2)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)10(13)11-12-6-7-14-11/h2-5H,6-7H2,1H3
InChIKeyUQXDHLKNHAJCMX-UHFFFAOYSA-N
XLogP1.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
CID 10799530
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
Methyl benzoylformatoxime
CID 129692040
Benzoyloxazoline
CID 129873934
(4,4-dimethyl-5H-1,3-oxazol-2-yl)-(3-fluorophenyl)methanone
CID 121016013
2-(2-Aminoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 116591018
1-(2-Fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone
CID 123344335
4,5-Dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 175198365
4-(2-Methoxyacetyl)benzonitrile
CID 318403
2-(Dimethylamino)ethyl 2-oxo-2-phenylacetate
CID 11806246
2,3-Dihydrofuran-5-yl-(4-methylphenyl)methanone
CID 10679161

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone?
The IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone (CID 90815370) is 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone?
The canonical SMILES for 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2=NCCO2)cc1.
What is the InChIKey of 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone?
The InChIKey is UQXDHLKNHAJCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)10(13)11-12-6-7-14-11/h2-5H,6-7H2,1H3.
What are the key properties of 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone?
4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone has a molecular weight of 189.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 90815370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).