3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole

C15H25N3O3S — CID 139013419

IUPAC3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCCCN2S(=O)(=O)C2(C)CC2)no1
InChIInChI=1S/C15H25N3O3S/c1-11(2)14-16-13(17-21-14)12-7-5-4-6-10-18(12)22(19,20)15(3)8-9-15/h11-12H,4-10H2,1-3H3
InChIKeyRIZIYYFAFQPPDS-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.99
Rot. Bonds4

About 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole

3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 139013419) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID139013419
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCCCN2S(=O)(=O)C2(C)CC2)no1
InChIInChI=1S/C15H25N3O3S/c1-11(2)14-16-13(17-21-14)12-7-5-4-6-10-18(12)22(19,20)15(3)8-9-15/h11-12H,4-10H2,1-3H3
InChIKeyRIZIYYFAFQPPDS-UHFFFAOYSA-N
XLogP2.99
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
CID 166235513
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079949
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 120899647
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345489
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 164642495
3-[1-(piperidin-3-ylmethyl)azepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120856323
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779546
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500
5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 56728159

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 139013419) is 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(C2CCCCCN2S(=O)(=O)C2(C)CC2)no1.
What is the InChIKey of 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RIZIYYFAFQPPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-11(2)14-16-13(17-21-14)12-7-5-4-6-10-18(12)22(19,20)15(3)8-9-15/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 327.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 139013419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).