3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C18H12ClN5O2 — CID 127034466

IUPAC3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1noc(/C=C/c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H12ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-9,11H,10H2/b8-5+
InChIKeyFNDVNJLIBJSDBE-VMPITWQZSA-N
MW365.78 g/mol
LogP3.05
Rot. Bonds4

About 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 127034466) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID127034466
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC Name3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1noc(/C=C/c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H12ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-9,11H,10H2/b8-5+
InChIKeyFNDVNJLIBJSDBE-VMPITWQZSA-N
XLogP3.05
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 127034466) is 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1noc(/C=C/c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FNDVNJLIBJSDBE-VMPITWQZSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-9,11H,10H2/b8-5+.
What are the key properties of 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 365.78 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 127034466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).