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

C15H10ClN5O2 — CID 121486669

IUPAC3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1cn(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C15H10ClN5O2/c16-10-3-1-4-12(7-10)21-9-11(18-19-21)8-20-14-13(23-15(20)22)5-2-6-17-14/h1-7,9H,8H2
InChIKeySPEQYHFSCFOWTM-UHFFFAOYSA-N
MW327.73 g/mol
LogP2.27
Rot. Bonds3

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

3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 121486669) has the molecular formula C15H10ClN5O2 and a molecular weight of 327.73 g/mol. Its IUPAC name is 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID121486669
Molecular FormulaC15H10ClN5O2
Molecular Weight327.73 g/mol
Exact Mass327.05
IUPAC Name3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1cn(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C15H10ClN5O2/c16-10-3-1-4-12(7-10)21-9-11(18-19-21)8-20-14-13(23-15(20)22)5-2-6-17-14/h1-7,9H,8H2
InChIKeySPEQYHFSCFOWTM-UHFFFAOYSA-N
XLogP2.27
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 121486669) is 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1Cc1cn(-c2cccc(Cl)c2)nn1.
What is the InChIKey of 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is SPEQYHFSCFOWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2/c16-10-3-1-4-12(7-10)21-9-11(18-19-21)8-20-14-13(23-15(20)22)5-2-6-17-14/h1-7,9H,8H2.
What are the key properties of 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 327.73 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-chlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 121486669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).