3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole

C13H17N5O — CID 95816933

IUPAC3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@]2(C)CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C13H17N5O/c1-10-16-11(19-17-10)13(2)5-3-8-18(9-13)12-14-6-4-7-15-12/h4,6-7H,3,5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyZHQUYXBBKUQOBE-CYBMUJFWSA-N
MW259.31 g/mol
LogP1.73
Rot. Bonds2

About 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95816933) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95816933
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@]2(C)CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C13H17N5O/c1-10-16-11(19-17-10)13(2)5-3-8-18(9-13)12-14-6-4-7-15-12/h4,6-7H,3,5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyZHQUYXBBKUQOBE-CYBMUJFWSA-N
XLogP1.73
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53509596
1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818824
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818845
5-Ethyl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122435
5-Propan-2-yl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122439
5-Propan-2-yl-3-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 72138470
5-Ethyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 72138471
US11352339, Example 64
CID 130468607
5-Tert-butyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 56812882
3-Methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 75501362
4-N-butyl-6-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 100671048
5-[(2S)-hexan-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 124851765

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole (CID 95816933) is 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole is Cc1noc([C@]2(C)CCCN(c3ncccn3)C2)n1.
What is the InChIKey of 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZHQUYXBBKUQOBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-16-11(19-17-10)13(2)5-3-8-18(9-13)12-14-6-4-7-15-12/h4,6-7H,3,5,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3R)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95816933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).