1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H15ClN6O2 — CID 22577200

IUPAC1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H15ClN6O2/c1-9-8-10(2)23-17(19-9)20-14(21-23)16-24(11(3)25)22-15(26-16)12-4-6-13(18)7-5-12/h4-8,16H,1-3H3
InChIKeyWMJNTSBZAMBRIF-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.63
Rot. Bonds2

About 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 22577200) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID22577200
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H15ClN6O2/c1-9-8-10(2)23-17(19-9)20-14(21-23)16-24(11(3)25)22-15(26-16)12-4-6-13(18)7-5-12/h4-8,16H,1-3H3
InChIKeyWMJNTSBZAMBRIF-UHFFFAOYSA-N
XLogP2.63
TPSA84.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 22577200) is 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is WMJNTSBZAMBRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-9-8-10(2)23-17(19-9)20-14(21-23)16-24(11(3)25)22-15(26-16)12-4-6-13(18)7-5-12/h4-8,16H,1-3H3.
What are the key properties of 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 370.80 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 22577200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).