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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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).