5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride

C11H10ClNO2 — CID 135001550

IUPAC5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride
SMILESCC1ON=C(c2ccccc2)C1C(=O)Cl
InChIInChI=1S/C11H10ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyGFRWMAQUWLKQOQ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.19
Rot. Bonds2

About 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride

5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride (PubChem CID 135001550) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride
PubChem CID135001550
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride
SMILESCC1ON=C(c2ccccc2)C1C(=O)Cl
InChIInChI=1S/C11H10ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyGFRWMAQUWLKQOQ-UHFFFAOYSA-N
XLogP2.19
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-5-methyl-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 7073343
(4S)-4-benzyl-5,5-dimethyl-3-[(4R)-5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 101271722
(4S)-4-benzyl-5,5-dimethyl-3-[(4S,5S)-5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 101225192
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
(1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
CID 11791108
(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 11095797
1-benzyl-2-[(4R,5S)-3-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-5,5-dimethylpyrazolidin-3-one
CID 25216316
(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 15122218
(4S,5S)-5-(chloromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 127261803
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
(1S,2R,6R,8S)-5,9-diphenyl-3,11-dioxa-7λ6-thia-4,10-diazatricyclo[6.3.0.02,6]undeca-4,9-diene 7,7-dioxide
CID 27242942

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride (CID 135001550) is 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride is CC1ON=C(c2ccccc2)C1C(=O)Cl.
What is the InChIKey of 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride?
The InChIKey is GFRWMAQUWLKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride?
5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride has a molecular weight of 223.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 135001550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).