2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one

C17H11N5O2 — CID 171674594

IUPAC2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)ncc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H11N5O2/c23-16-13(10-19-14(20-16)11-5-2-1-3-6-11)17-21-15(22-24-17)12-7-4-8-18-9-12/h1-10H,(H,19,20,23)
InChIKeyVCXJAQGBGGMLRT-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.55
Rot. Bonds3

About 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one

2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 171674594) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one
PubChem CID171674594
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)ncc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H11N5O2/c23-16-13(10-19-14(20-16)11-5-2-1-3-6-11)17-21-15(22-24-17)12-7-4-8-18-9-12/h1-10H,(H,19,20,23)
InChIKeyVCXJAQGBGGMLRT-UHFFFAOYSA-N
XLogP2.55
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(5-bromoquinolin-8-yl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1H-pyrimidin-6-one
CID 171674589
5-(1H-indol-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 136740783
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332686
5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 91819568
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 68740998
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 44545185
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912383
5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 6461856

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one (CID 171674594) is 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2)ncc1-c1nc(-c2cccnc2)no1.
What is the InChIKey of 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is VCXJAQGBGGMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c23-16-13(10-19-14(20-16)11-5-2-1-3-6-11)17-21-15(22-24-17)12-7-4-8-18-9-12/h1-10H,(H,19,20,23).
What are the key properties of 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one?
2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 317.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 171674594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).