3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole

C13H21N3O2 — CID 97253149

IUPAC3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C13H21N3O2/c1-10-14-13(18-15-10)11-3-2-6-16(9-11)12-4-7-17-8-5-12/h11-12H,2-9H2,1H3/t11-/m1/s1
InChIKeyDUQMXOJCAZWVKU-LLVKDONJSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 97253149) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID97253149
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C13H21N3O2/c1-10-14-13(18-15-10)11-3-2-6-16(9-11)12-4-7-17-8-5-12/h11-12H,2-9H2,1H3/t11-/m1/s1
InChIKeyDUQMXOJCAZWVKU-LLVKDONJSA-N
XLogP1.74
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
CID 162193867
CID 162193867
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145
(1-aminocyclopentyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119112359
1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124590894
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole (CID 97253149) is 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCN(C3CCOCC3)C2)n1.
What is the InChIKey of 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is DUQMXOJCAZWVKU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-14-13(18-15-10)11-3-2-6-16(9-11)12-4-7-17-8-5-12/h11-12H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97253149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).