2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole

C13H23N3O — CID 94114626

IUPAC2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCN(Cc2nnc(C(C)(C)C)o2)C1
InChIInChI=1S/C13H23N3O/c1-10-6-5-7-16(8-10)9-11-14-15-12(17-11)13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyJBQSKKZFMATJSI-SNVBAGLBSA-N
MW237.35 g/mol
LogP2.60
Rot. Bonds2

About 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole

2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 94114626) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID94114626
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCN(Cc2nnc(C(C)(C)C)o2)C1
InChIInChI=1S/C13H23N3O/c1-10-6-5-7-16(8-10)9-11-14-15-12(17-11)13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyJBQSKKZFMATJSI-SNVBAGLBSA-N
XLogP2.60
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94526415
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79867727
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 113281984
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267470
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032224
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976515
2-(4-methylphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110651713
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827
4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine
CID 126810423

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 94114626) is 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is C[C@@H]1CCCN(Cc2nnc(C(C)(C)C)o2)C1.
What is the InChIKey of 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is JBQSKKZFMATJSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-6-5-7-16(8-10)9-11-14-15-12(17-11)13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 94114626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).