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

C16H16F4N4O4S — CID 155682050

IUPAC(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(-c3ccnc(OC(F)F)c3)no1)C2(F)F
InChIInChI=1S/C16H16F4N4O4S/c17-14(18)27-12-7-9(1-4-22-12)10-8-11(28-23-10)13-15(16(13,19)20)2-5-24(6-3-15)29(21,25)26/h1,4,7-8,13-14H,2-3,5-6H2,(H2,21,25,26)/t13-/m0/s1
InChIKeyVFRWRMQCMOQSMZ-ZDUSSCGKSA-N
MW436.39 g/mol
LogP2.36
Rot. Bonds5

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

(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155682050) has the molecular formula C16H16F4N4O4S and a molecular weight of 436.39 g/mol. Its IUPAC name is (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155682050
Molecular FormulaC16H16F4N4O4S
Molecular Weight436.39 g/mol
Exact Mass436.08
IUPAC Name(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(-c3ccnc(OC(F)F)c3)no1)C2(F)F
InChIInChI=1S/C16H16F4N4O4S/c17-14(18)27-12-7-9(1-4-22-12)10-8-11(28-23-10)13-15(16(13,19)20)2-5-24(6-3-15)29(21,25)26/h1,4,7-8,13-14H,2-3,5-6H2,(H2,21,25,26)/t13-/m0/s1
InChIKeyVFRWRMQCMOQSMZ-ZDUSSCGKSA-N
XLogP2.36
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(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)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681857
(1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
CID 156736160
5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 155600976
(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
(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681807
4-(5-cyclopropyl-1,2-oxazol-3-yl)pyridin-2-amine
CID 146446880
5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 154846251
2-(difluoromethoxy)-4-methylpyridine;ethane
CID 157031932
2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681960
(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
N-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-5-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)sulfonyl]-1H-1,2,4-triazol-3-amine
CID 150624304

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide (CID 155682050) is (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(-c3ccnc(OC(F)F)c3)no1)C2(F)F.
What is the InChIKey of (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is VFRWRMQCMOQSMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16F4N4O4S/c17-14(18)27-12-7-9(1-4-22-12)10-8-11(28-23-10)13-15(16(13,19)20)2-5-24(6-3-15)29(21,25)26/h1,4,7-8,13-14H,2-3,5-6H2,(H2,21,25,26)/t13-/m0/s1.
What are the key properties of (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 436.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155682050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).