3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C14H19N5O — CID 128979897

IUPAC3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3nc(C)nc(C)c3C)C2)n1
InChIInChI=1S/C14H19N5O/c1-8-9(2)15-10(3)16-13(8)19-6-5-12(7-19)14-17-11(4)18-20-14/h12H,5-7H2,1-4H3
InChIKeyZQGLOWQRMRKYPV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.09
Rot. Bonds2

About 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 128979897) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID128979897
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3nc(C)nc(C)c3C)C2)n1
InChIInChI=1S/C14H19N5O/c1-8-9(2)15-10(3)16-13(8)19-6-5-12(7-19)14-17-11(4)18-20-14/h12H,5-7H2,1-4H3
InChIKeyZQGLOWQRMRKYPV-UHFFFAOYSA-N
XLogP2.09
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128979743
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128563921
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057954
5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 154836223
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666
4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122137130
5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129483087
2-(morpholin-4-ylmethyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
CID 146148962

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 128979897) is 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C2CCN(c3nc(C)nc(C)c3C)C2)n1.
What is the InChIKey of 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZQGLOWQRMRKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-9(2)15-10(3)16-13(8)19-6-5-12(7-19)14-17-11(4)18-20-14/h12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 128979897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).