3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

C15H21N5O — CID 133291332

IUPAC3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ccnc(C(C)C)n3)CC2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)14-16-7-4-13(18-14)20-8-5-12(6-9-20)15-17-11(3)19-21-15/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyUGTJLEIUJWUXSC-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.68
Rot. Bonds3

About 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 133291332) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID133291332
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ccnc(C(C)C)n3)CC2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)14-16-7-4-13(18-14)20-8-5-12(6-9-20)15-17-11(3)19-21-15/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyUGTJLEIUJWUXSC-UHFFFAOYSA-N
XLogP2.68
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]furo[3,2-c]pyridine
CID 75442183
3-methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 56816452
5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134706824
4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136524880
3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 74243204
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
3-methyl-5-[(2S,3R)-2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 138019437
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057954
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887829
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129343408
4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128979743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 133291332) is 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is Cc1noc(C2CCN(c3ccnc(C(C)C)n3)CC2)n1.
What is the InChIKey of 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is UGTJLEIUJWUXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)14-16-7-4-13(18-14)20-8-5-12(6-9-20)15-17-11(3)19-21-15/h4,7,10,12H,5-6,8-9H2,1-3H3.
What are the key properties of 3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.68, 3 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-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133291332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).