3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one

C19H14Cl2N2O3 — CID 3839469

IUPAC3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
SMILESO=C(CC=NOCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H14Cl2N2O3/c20-15-7-6-14(16(21)10-15)12-25-22-9-8-18(24)19-11-17(23-26-19)13-4-2-1-3-5-13/h1-7,9-11H,8,12H2
InChIKeyUXIGGBLXRSGGCW-UHFFFAOYSA-N
MW389.24 g/mol
LogP5.42
Rot. Bonds7

About 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one

3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (PubChem CID 3839469) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
PubChem CID3839469
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
SMILESO=C(CC=NOCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H14Cl2N2O3/c20-15-7-6-14(16(21)10-15)12-25-22-9-8-18(24)19-11-17(23-26-19)13-4-2-1-3-5-13/h1-7,9-11H,8,12H2
InChIKeyUXIGGBLXRSGGCW-UHFFFAOYSA-N
XLogP5.42
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one
CID 3739562
1-[3-[(2,4-dichlorophenyl)methoxyimino]propanoylamino]-3-methylthiourea
CID 3372799
(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
CID 6111445
3-[3-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117422508
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide
CID 20850503
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
CID 127025143
N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine
CID 3769643
methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
CID 40512717
(3E)-N-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-[(2,4-dichlorophenyl)methoxyimino]propanamide
CID 98340587
N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
CID 5142873
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (CID 3839469) is 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is O=C(CC=NOCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is UXIGGBLXRSGGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c20-15-7-6-14(16(21)10-15)12-25-22-9-8-18(24)19-11-17(23-26-19)13-4-2-1-3-5-13/h1-7,9-11H,8,12H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 389.24 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 3839469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).