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

C13H14F3N5O4S — CID 155681821

IUPAC(2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C[C@H]2c1noc(-c2ocnc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5O4S/c14-13(15,16)9-8(24-6-18-9)11-19-10(20-25-11)7-5-12(7)1-3-21(4-2-12)26(17,22)23/h6-7H,1-5H2,(H2,17,22,23)/t7-/m0/s1
InChIKeyUKZDTWAULFLILH-ZETCQYMHSA-N
MW393.35 g/mol
LogP1.52
Rot. Bonds3

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

(2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155681821) has the molecular formula C13H14F3N5O4S and a molecular weight of 393.35 g/mol. Its IUPAC name is (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155681821
Molecular FormulaC13H14F3N5O4S
Molecular Weight393.35 g/mol
Exact Mass393.07
IUPAC Name(2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C[C@H]2c1noc(-c2ocnc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5O4S/c14-13(15,16)9-8(24-6-18-9)11-19-10(20-25-11)7-5-12(7)1-3-21(4-2-12)26(17,22)23/h6-7H,1-5H2,(H2,17,22,23)/t7-/m0/s1
InChIKeyUKZDTWAULFLILH-ZETCQYMHSA-N
XLogP1.52
TPSA128.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682094
(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
(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681912
(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
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-[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
(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
(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
2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 86641403
(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
(2R)-2-[(6-morpholin-4-yl-2-pyridinyl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155255907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155681821) is (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)C[C@H]2c1noc(-c2ocnc2C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is UKZDTWAULFLILH-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14F3N5O4S/c14-13(15,16)9-8(24-6-18-9)11-19-10(20-25-11)7-5-12(7)1-3-21(4-2-12)26(17,22)23/h6-7H,1-5H2,(H2,17,22,23)/t7-/m0/s1.
What are the key properties of (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
(2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 393.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155681821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).