2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole

C16H21N3OS — CID 129486644

IUPAC2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
SMILESc1cc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)cs1
InChIInChI=1S/C16H21N3OS/c1-2-8-19(10-12-7-9-21-11-12)14(6-1)16-18-17-15(20-16)13-4-3-5-13/h7,9,11,13-14H,1-6,8,10H2/t14-/m1/s1
InChIKeyIORQCMBZTQAQNE-CQSZACIVSA-N
MW303.43 g/mol
LogP4.13
Rot. Bonds4

About 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole

2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole (PubChem CID 129486644) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
PubChem CID129486644
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
SMILESc1cc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)cs1
InChIInChI=1S/C16H21N3OS/c1-2-8-19(10-12-7-9-21-11-12)14(6-1)16-18-17-15(20-16)13-4-3-5-13/h7,9,11,13-14H,1-6,8,10H2/t14-/m1/s1
InChIKeyIORQCMBZTQAQNE-CQSZACIVSA-N
XLogP4.13
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
CID 154743934
2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 129486880
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 110217557
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 136542577
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole
CID 124962092
1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
CID 84593793
1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
CID 115882861
2-[(2R)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571581
2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571582

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole (CID 129486644) is 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole is c1cc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)cs1.
What is the InChIKey of 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is IORQCMBZTQAQNE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-8-19(10-12-7-9-21-11-12)14(6-1)16-18-17-15(20-16)13-4-3-5-13/h7,9,11,13-14H,1-6,8,10H2/t14-/m1/s1.
What are the key properties of 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 303.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129486644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).