3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole

C14H7ClF2N2O — CID 44545544

IUPAC3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cncc(Cl)c3)no2)cc1F
InChIInChI=1S/C14H7ClF2N2O/c15-10-3-9(6-18-7-10)13-5-14(20-19-13)8-1-2-11(16)12(17)4-8/h1-7H
InChIKeyHKOQTAUJZHSIOZ-UHFFFAOYSA-N
MW292.67 g/mol
LogP4.34
Rot. Bonds2

About 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole

3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole (PubChem CID 44545544) has the molecular formula C14H7ClF2N2O and a molecular weight of 292.67 g/mol. Its IUPAC name is 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole
PubChem CID44545544
Molecular FormulaC14H7ClF2N2O
Molecular Weight292.67 g/mol
Exact Mass292.02
IUPAC Name3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cncc(Cl)c3)no2)cc1F
InChIInChI=1S/C14H7ClF2N2O/c15-10-3-9(6-18-7-10)13-5-14(20-19-13)8-1-2-11(16)12(17)4-8/h1-7H
InChIKeyHKOQTAUJZHSIOZ-UHFFFAOYSA-N
XLogP4.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole (CID 44545544) is 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole is Fc1ccc(-c2cc(-c3cncc(Cl)c3)no2)cc1F.
What is the InChIKey of 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole?
The InChIKey is HKOQTAUJZHSIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O/c15-10-3-9(6-18-7-10)13-5-14(20-19-13)8-1-2-11(16)12(17)4-8/h1-7H.
What are the key properties of 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole?
3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole has a molecular weight of 292.67 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-pyridinyl)-5-(3,4-difluorophenyl)-1,2-oxazole is sourced from PubChem (CID 44545544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).