2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide

C16H22N4O4S — CID 166308374

IUPAC2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cnc(C3CC3)o2)cn1
InChIInChI=1S/C16H22N4O4S/c1-2-20-10-12(8-18-20)15-13(4-3-7-23-15)19-25(21,22)14-9-17-16(24-14)11-5-6-11/h8-11,13,15,19H,2-7H2,1H3/t13-,15+/m0/s1
InChIKeyGFXRMDXXRZFDQJ-DZGCQCFKSA-N
MW366.44 g/mol
LogP1.97
Rot. Bonds6

About 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide

2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide (PubChem CID 166308374) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
PubChem CID166308374
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cnc(C3CC3)o2)cn1
InChIInChI=1S/C16H22N4O4S/c1-2-20-10-12(8-18-20)15-13(4-3-7-23-15)19-25(21,22)14-9-17-16(24-14)11-5-6-11/h8-11,13,15,19H,2-7H2,1H3/t13-,15+/m0/s1
InChIKeyGFXRMDXXRZFDQJ-DZGCQCFKSA-N
XLogP1.97
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide with MolForge

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Related Compounds

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129005329
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
CID 128968897
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
CID 129003579
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128996117
(2S)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129330114
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
CID 129005291
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
CID 128998358
2-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 154753375
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1-[(2S)-oxolan-2-yl]methanesulfonamide
CID 129333429
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide?
The IUPAC name of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide (CID 166308374) is 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide?
The canonical SMILES for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide is CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cnc(C3CC3)o2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide?
The InChIKey is GFXRMDXXRZFDQJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-2-20-10-12(8-18-20)15-13(4-3-7-23-15)19-25(21,22)14-9-17-16(24-14)11-5-6-11/h8-11,13,15,19H,2-7H2,1H3/t13-,15+/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide?
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide is sourced from PubChem (CID 166308374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).