2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole

C15H21N5O — CID 86283846

IUPAC2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(N2CCCC(c3ccncn3)C2)o1
InChIInChI=1S/C15H21N5O/c1-15(2,3)13-18-19-14(21-13)20-8-4-5-11(9-20)12-6-7-16-10-17-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyDAIMNLBTNHMXST-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.54
Rot. Bonds2

About 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole

2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole (PubChem CID 86283846) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole
PubChem CID86283846
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(N2CCCC(c3ccncn3)C2)o1
InChIInChI=1S/C15H21N5O/c1-15(2,3)13-18-19-14(21-13)20-8-4-5-11(9-20)12-6-7-16-10-17-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyDAIMNLBTNHMXST-UHFFFAOYSA-N
XLogP2.54
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-3-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95353474
4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
CID 122602482
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
2-methyl-1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-pyrrol-1-ylpropan-1-one
CID 131901880
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126445256
2-methyl-4-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 97124550
6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine
CID 24878591
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole (CID 86283846) is 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole is CC(C)(C)c1nnc(N2CCCC(c3ccncn3)C2)o1.
What is the InChIKey of 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole?
The InChIKey is DAIMNLBTNHMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)13-18-19-14(21-13)20-8-4-5-11(9-20)12-6-7-16-10-17-12/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole?
2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 86283846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).