3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole

C14H8Cl2N2O — CID 2726998

IUPAC3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccccn3)on2)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-9-4-5-10(11(16)7-9)13-8-14(19-18-13)12-3-1-2-6-17-12/h1-8H
InChIKeyLRQLTRSUHLYAHV-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.71
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole

3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole (PubChem CID 2726998) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole
PubChem CID2726998
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccccn3)on2)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-9-4-5-10(11(16)7-9)13-8-14(19-18-13)12-3-1-2-6-17-12/h1-8H
InChIKeyLRQLTRSUHLYAHV-UHFFFAOYSA-N
XLogP4.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole (CID 2726998) is 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole is Clc1ccc(-c2cc(-c3ccccn3)on2)c(Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole?
The InChIKey is LRQLTRSUHLYAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-9-4-5-10(11(16)7-9)13-8-14(19-18-13)12-3-1-2-6-17-12/h1-8H.
What are the key properties of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole?
3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 291.14 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 2726998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).