5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole

C11H13N5O — CID 110254319

IUPAC5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN2c2ccncn2)no1
InChIInChI=1S/C11H13N5O/c1-8-14-11(15-17-8)9-3-2-6-16(9)10-4-5-12-7-13-10/h4-5,7,9H,2-3,6H2,1H3
InChIKeyXFHQQOQZNCFJDY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.51
Rot. Bonds2

About 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole

5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 110254319) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID110254319
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN2c2ccncn2)no1
InChIInChI=1S/C11H13N5O/c1-8-14-11(15-17-8)9-3-2-6-16(9)10-4-5-12-7-13-10/h4-5,7,9H,2-3,6H2,1H3
InChIKeyXFHQQOQZNCFJDY-UHFFFAOYSA-N
XLogP1.51
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053434
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile
CID 75483989
5-methyl-3-[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97074164
3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 75474342
5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 95817184
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
CID 124970255
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97344130
5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole
CID 71892460
2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine
CID 175657256
4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 63391999
1-pyrimidin-4-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103198177

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 110254319) is 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole is Cc1nc(C2CCCN2c2ccncn2)no1.
What is the InChIKey of 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is XFHQQOQZNCFJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-14-11(15-17-8)9-3-2-6-16(9)10-4-5-12-7-13-10/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 110254319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).