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

C19H14ClN5O2 — CID 127034467

IUPAC3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESC/C(=C\c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+
InChIKeyIWTIXSBYEURJEK-FMIVXFBMSA-N
MW379.81 g/mol
LogP3.44
Rot. Bonds4

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

3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 127034467) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID127034467
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESC/C(=C\c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+
InChIKeyIWTIXSBYEURJEK-FMIVXFBMSA-N
XLogP3.44
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.44
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)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 127034467) is 3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-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)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is C/C(=C\c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IWTIXSBYEURJEK-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+.
What are the key properties of 3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 379.81 g/mol, XLogP of 3.44, 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)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 127034467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).