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

C19H16ClN5O2 — CID 127034465

IUPAC3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCC(Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O2/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/h2-8,11-12H,9-10H2,1H3
InChIKeyQJBLCHBIHYCOJP-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.22
Rot. Bonds5

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

3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 127034465) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID127034465
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCC(Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O2/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/h2-8,11-12H,9-10H2,1H3
InChIKeyQJBLCHBIHYCOJP-UHFFFAOYSA-N
XLogP3.22
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 127034465) is 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is CC(Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QJBLCHBIHYCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/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/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 381.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 127034465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).