5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

C21H26N6O — CID 134706824

IUPAC5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2ccnc(N3CCC(c4nc(C(C)C)no4)CC3)n2)c(C)n1
InChIInChI=1S/C21H26N6O/c1-13(2)19-25-20(28-26-19)16-8-11-27(12-9-16)21-22-10-7-18(24-21)17-6-5-14(3)23-15(17)4/h5-7,10,13,16H,8-9,11-12H2,1-4H3
InChIKeyNZAKEHGPKHNFPI-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.05
Rot. Bonds4

About 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 134706824) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID134706824
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2ccnc(N3CCC(c4nc(C(C)C)no4)CC3)n2)c(C)n1
InChIInChI=1S/C21H26N6O/c1-13(2)19-25-20(28-26-19)16-8-11-27(12-9-16)21-22-10-7-18(24-21)17-6-5-14(3)23-15(17)4/h5-7,10,13,16H,8-9,11-12H2,1-4H3
InChIKeyNZAKEHGPKHNFPI-UHFFFAOYSA-N
XLogP4.05
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 74243204
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 72904735
N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
CID 56872592
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 134709074
(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
CID 56881296
5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138379695
3-methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 56816452
5-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 163345680
(4S)-2-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96572485
2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 56875539
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133299384

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 134706824) is 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1ccc(-c2ccnc(N3CCC(c4nc(C(C)C)no4)CC3)n2)c(C)n1.
What is the InChIKey of 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NZAKEHGPKHNFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-13(2)19-25-20(28-26-19)16-8-11-27(12-9-16)21-22-10-7-18(24-21)17-6-5-14(3)23-15(17)4/h5-7,10,13,16H,8-9,11-12H2,1-4H3.
What are the key properties of 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 378.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 134706824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).