2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole

C12H9N5O — CID 99962927

IUPAC2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1ncncc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C12H9N5O/c1-8-10(6-14-7-15-8)12-17-16-11(18-12)9-3-2-4-13-5-9/h2-7H,1H3
InChIKeyLSUPEHWCWAZSGQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.90
Rot. Bonds2

About 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole

2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 99962927) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID99962927
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1ncncc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C12H9N5O/c1-8-10(6-14-7-15-8)12-17-16-11(18-12)9-3-2-4-13-5-9/h2-7H,1H3
InChIKeyLSUPEHWCWAZSGQ-UHFFFAOYSA-N
XLogP1.90
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpyrimidin-5-yl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 99962926
2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962939
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25055628
2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054875
N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 14244613
2-(4-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 865622
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 99962927) is 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1ncncc1-c1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is LSUPEHWCWAZSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c1-8-10(6-14-7-15-8)12-17-16-11(18-12)9-3-2-4-13-5-9/h2-7H,1H3.
What are the key properties of 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 239.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 99962927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).