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

C14H8Cl2N2O — CID 71026476

IUPAC5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3cccnc3)o2)cc1Cl
InChIInChI=1S/C14H8Cl2N2O/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H
InChIKeyBBHAHGKBAQLUPX-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.71
Rot. Bonds2

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

5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole (PubChem CID 71026476) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole
PubChem CID71026476
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3cccnc3)o2)cc1Cl
InChIInChI=1S/C14H8Cl2N2O/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H
InChIKeyBBHAHGKBAQLUPX-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 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole (CID 71026476) is 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole is Clc1ccc(-c2cnc(-c3cccnc3)o2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole?
The InChIKey is BBHAHGKBAQLUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H.
What are the key properties of 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole?
5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-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 5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 71026476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).