3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C15H9ClFN5O2 — CID 75454006

IUPAC3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1cn(-c2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H9ClFN5O2/c16-11-6-10(3-4-12(11)17)22-8-9(19-20-22)7-21-14-13(24-15(21)23)2-1-5-18-14/h1-6,8H,7H2
InChIKeyWQOYDQWXPMNEKZ-UHFFFAOYSA-N
MW345.72 g/mol
LogP2.41
Rot. Bonds3

About 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 75454006) has the molecular formula C15H9ClFN5O2 and a molecular weight of 345.72 g/mol. Its IUPAC name is 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID75454006
Molecular FormulaC15H9ClFN5O2
Molecular Weight345.72 g/mol
Exact Mass345.04
IUPAC Name3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1cn(-c2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H9ClFN5O2/c16-11-6-10(3-4-12(11)17)22-8-9(19-20-22)7-21-14-13(24-15(21)23)2-1-5-18-14/h1-6,8H,7H2
InChIKeyWQOYDQWXPMNEKZ-UHFFFAOYSA-N
XLogP2.41
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 75454006) is 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1Cc1cn(-c2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is WQOYDQWXPMNEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN5O2/c16-11-6-10(3-4-12(11)17)22-8-9(19-20-22)7-21-14-13(24-15(21)23)2-1-5-18-14/h1-6,8H,7H2.
What are the key properties of 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 345.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 75454006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).