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

C17H11Cl3N2O2 — CID 158228178

IUPAC1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cccnc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c18-10-3-5-12(14(19)8-10)15-9-11(24-22-15)4-6-16(23)13-2-1-7-21-17(13)20/h1-3,5,7-9H,4,6H2
InChIKeyIPSLKZQMJOJCQG-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.51
Rot. Bonds5

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

1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 158228178) has the molecular formula C17H11Cl3N2O2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one
PubChem CID158228178
Molecular FormulaC17H11Cl3N2O2
Molecular Weight381.65 g/mol
Exact Mass379.99
IUPAC Name1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cccnc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c18-10-3-5-12(14(19)8-10)15-9-11(24-22-15)4-6-16(23)13-2-1-7-21-17(13)20/h1-3,5,7-9H,4,6H2
InChIKeyIPSLKZQMJOJCQG-UHFFFAOYSA-N
XLogP5.51
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
CID 138465110
3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
CID 159551719
5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole
CID 114281167
3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
CID 159551717
2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465131
[3-(2-chloro-3-pyridinyl)-3-oxopropyl] 2-chlorobenzoate
CID 174992100
(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 30833272
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 43058159
3-(2-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 18331345
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465240
5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 1093842

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one (CID 158228178) is 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one is O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one?
The InChIKey is IPSLKZQMJOJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2/c18-10-3-5-12(14(19)8-10)15-9-11(24-22-15)4-6-16(23)13-2-1-7-21-17(13)20/h1-3,5,7-9H,4,6H2.
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one?
1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 381.65 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 158228178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).