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

C15H9Cl2N5O2 — CID 121486677

IUPAC3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H9Cl2N5O2/c16-11-4-3-10(6-12(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
InChIKeyVSHBNNFKDDXSCU-UHFFFAOYSA-N
MW362.18 g/mol
LogP2.93
Rot. Bonds3

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

3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 121486677) has the molecular formula C15H9Cl2N5O2 and a molecular weight of 362.18 g/mol. Its IUPAC name is 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID121486677
Molecular FormulaC15H9Cl2N5O2
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H9Cl2N5O2/c16-11-4-3-10(6-12(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
InChIKeyVSHBNNFKDDXSCU-UHFFFAOYSA-N
XLogP2.93
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 121486677) is 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is VSHBNNFKDDXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5O2/c16-11-4-3-10(6-12(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-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 362.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 121486677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).