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

C19H14Cl2N2O2 — CID 91469949

IUPAC1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one
SMILESCc1cc(C(/C=N/c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H14Cl2N2O2/c1-12-10-18(25-23-12)17(11-22-16-8-6-15(21)7-9-16)19(24)13-2-4-14(20)5-3-13/h2-11,17H,1H3/b22-11+
InChIKeyZDLZJPOTYHKIJJ-SSDVNMTOSA-N
MW373.24 g/mol
LogP5.66
Rot. Bonds5

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

1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one (PubChem CID 91469949) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one
PubChem CID91469949
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one
SMILESCc1cc(C(/C=N/c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H14Cl2N2O2/c1-12-10-18(25-23-12)17(11-22-16-8-6-15(21)7-9-16)19(24)13-2-4-14(20)5-3-13/h2-11,17H,1H3/b22-11+
InChIKeyZDLZJPOTYHKIJJ-SSDVNMTOSA-N
XLogP5.66
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.66
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

3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
CID 91425946
3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
CID 90940702
1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 15239218
3,4-bis(4-chlorobenzoyl)hexane-2,5-dione
CID 46243237
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
3-(4-chlorophenyl)-2-methyl-3-oxopropanal
CID 175484761
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-[(4-chlorophenyl)iminomethyl]-N-methylcarbamoyl chloride
CID 54518029
(E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
CID 68648133
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 94874116
3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 103841842

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one (CID 91469949) is 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one is Cc1cc(C(/C=N/c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)on1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is ZDLZJPOTYHKIJJ-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c1-12-10-18(25-23-12)17(11-22-16-8-6-15(21)7-9-16)19(24)13-2-4-14(20)5-3-13/h2-11,17H,1H3/b22-11+.
What are the key properties of 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one?
1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 373.24 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 91469949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).