(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide

C16H19F2N5O4S — CID 155682012

IUPAC(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1onc(C2CC2)c1-c1noc([C@@H]2C(F)(F)C23CCN(S(N)(=O)=O)CC3)n1
InChIInChI=1S/C16H19F2N5O4S/c1-8-10(11(21-26-8)9-2-3-9)13-20-14(27-22-13)12-15(16(12,17)18)4-6-23(7-5-15)28(19,24)25/h9,12H,2-7H2,1H3,(H2,19,24,25)/t12-/m0/s1
InChIKeyCOMXXDXRYWUVBL-LBPRGKRZSA-N
MW415.42 g/mol
LogP1.93
Rot. Bonds4

About (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide

(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155682012) has the molecular formula C16H19F2N5O4S and a molecular weight of 415.42 g/mol. Its IUPAC name is (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155682012
Molecular FormulaC16H19F2N5O4S
Molecular Weight415.42 g/mol
Exact Mass415.11
IUPAC Name(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1onc(C2CC2)c1-c1noc([C@@H]2C(F)(F)C23CCN(S(N)(=O)=O)CC3)n1
InChIInChI=1S/C16H19F2N5O4S/c1-8-10(11(21-26-8)9-2-3-9)13-20-14(27-22-13)12-15(16(12,17)18)4-6-23(7-5-15)28(19,24)25/h9,12H,2-7H2,1H3,(H2,19,24,25)/t12-/m0/s1
InChIKeyCOMXXDXRYWUVBL-LBPRGKRZSA-N
XLogP1.93
TPSA128.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide with MolForge

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Related Compounds

(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681952
(2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682017
5-(2,2-difluoro-6-methylsulfonyl-6-azaspiro[2.5]octan-1-yl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 155681898
(1R)-1-[5-[1-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682055
(1R)-1-[5-(3-cyclopropyl-1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681856
5-(2,2-difluoro-6-methylsulfonyl-6-azaspiro[2.5]octan-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 155681877
(1R)-1-[5-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682021
(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682050
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861933
(1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
CID 156736160
(2R)-2-[5-(3-cyclopropyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681989
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide (CID 155682012) is (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide is Cc1onc(C2CC2)c1-c1noc([C@@H]2C(F)(F)C23CCN(S(N)(=O)=O)CC3)n1.
What is the InChIKey of (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is COMXXDXRYWUVBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19F2N5O4S/c1-8-10(11(21-26-8)9-2-3-9)13-20-14(27-22-13)12-15(16(12,17)18)4-6-23(7-5-15)28(19,24)25/h9,12H,2-7H2,1H3,(H2,19,24,25)/t12-/m0/s1.
What are the key properties of (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 415.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155682012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).