3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one

C19H15ClN2O2 — CID 91425946

IUPAC3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
SMILESCc1cc(C(/C=N/c2ccc(Cl)cc2)C(=O)c2ccccc2)on1
InChIInChI=1S/C19H15ClN2O2/c1-13-11-18(24-22-13)17(19(23)14-5-3-2-4-6-14)12-21-16-9-7-15(20)8-10-16/h2-12,17H,1H3/b21-12+
InChIKeyXLEXNXAATFOWQS-CIAFOILYSA-N
MW338.79 g/mol
LogP5.01
Rot. Bonds5

About 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one

3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one (PubChem CID 91425946) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
PubChem CID91425946
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
SMILESCc1cc(C(/C=N/c2ccc(Cl)cc2)C(=O)c2ccccc2)on1
InChIInChI=1S/C19H15ClN2O2/c1-13-11-18(24-22-13)17(19(23)14-5-3-2-4-6-14)12-21-16-9-7-15(20)8-10-16/h2-12,17H,1H3/b21-12+
InChIKeyXLEXNXAATFOWQS-CIAFOILYSA-N
XLogP5.01
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one
CID 91469949
3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
CID 90940702
1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
CID 91190415
2-[[4-[(2-cyano-3-oxo-3-phenylpropylidene)amino]phenyl]iminomethyl]-3-oxo-3-phenylpropanenitrile
CID 102482821
2-[(4-chlorophenyl)diazenyl]-1-phenylbutane-1,3-dione
CID 19448
(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide
CID 136865812
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 15239218
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one
CID 90957038
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one (CID 91425946) is 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one is Cc1cc(C(/C=N/c2ccc(Cl)cc2)C(=O)c2ccccc2)on1.
What is the InChIKey of 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
The InChIKey is XLEXNXAATFOWQS-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-13-11-18(24-22-13)17(19(23)14-5-3-2-4-6-14)12-21-16-9-7-15(20)8-10-16/h2-12,17H,1H3/b21-12+.
What are the key properties of 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one has a molecular weight of 338.79 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 91425946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).