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

C13H23N3O — CID 94181815

IUPAC3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1
InChIInChI=1S/C13H23N3O/c1-10-7-5-6-8-16(10)9-11-14-12(15-17-11)13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyDWWCIKCLIZOBKO-SNVBAGLBSA-N
MW237.35 g/mol
LogP2.74
Rot. Bonds2

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

3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 94181815) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID94181815
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1
InChIInChI=1S/C13H23N3O/c1-10-7-5-6-8-16(10)9-11-14-12(15-17-11)13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyDWWCIKCLIZOBKO-SNVBAGLBSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-yl]ethanol
CID 126805664
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130693812
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99857571
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91651007
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
3-tert-butyl-5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51934667
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926686

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 94181815) is 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole is C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DWWCIKCLIZOBKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-7-5-6-8-16(10)9-11-14-12(15-17-11)13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94181815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).