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

C17H22N4O4S — CID 155682017

IUPAC(2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1onc(C2CC2)c1-c1cnc([C@@H]2CC23CCN(S(N)(=O)=O)CC3)o1
InChIInChI=1S/C17H22N4O4S/c1-10-14(15(20-25-10)11-2-3-11)13-9-19-16(24-13)12-8-17(12)4-6-21(7-5-17)26(18,22)23/h9,11-12H,2-8H2,1H3,(H2,18,22,23)/t12-/m0/s1
InChIKeyNHVRCRPPHSGSPO-LBPRGKRZSA-N
MW378.45 g/mol
LogP2.29
Rot. Bonds4

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

(2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155682017) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155682017
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name(2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1onc(C2CC2)c1-c1cnc([C@@H]2CC23CCN(S(N)(=O)=O)CC3)o1
InChIInChI=1S/C17H22N4O4S/c1-10-14(15(20-25-10)11-2-3-11)13-9-19-16(24-13)12-8-17(12)4-6-21(7-5-17)26(18,22)23/h9,11-12H,2-8H2,1H3,(H2,18,22,23)/t12-/m0/s1
InChIKeyNHVRCRPPHSGSPO-LBPRGKRZSA-N
XLogP2.29
TPSA115.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(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
(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
2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681960
(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681912
(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
5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110158985
4-(2-cyclopropyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 122187182
2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 20959137
2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617766
2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155255847
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (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) is (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide is Cc1onc(C2CC2)c1-c1cnc([C@@H]2CC23CCN(S(N)(=O)=O)CC3)o1.
What is the InChIKey of (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is NHVRCRPPHSGSPO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-10-14(15(20-25-10)11-2-3-11)13-9-19-16(24-13)12-8-17(12)4-6-21(7-5-17)26(18,22)23/h9,11-12H,2-8H2,1H3,(H2,18,22,23)/t12-/m0/s1.
What are the key properties of (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
(2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 378.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,3-oxazol-2-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155682017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).