1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide

C17H20N4O4S — CID 129005349

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C17H20N4O4S/c1-21-10-12(9-18-21)17-14(6-4-8-24-17)20-26(22,23)11-15-13-5-2-3-7-16(13)25-19-15/h2-3,5,7,9-10,14,17,20H,4,6,8,11H2,1H3/t14-,17+/m0/s1
InChIKeyGAJJQGHCLWZSAB-WMLDXEAASA-N
MW376.44 g/mol
LogP1.90
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide (PubChem CID 129005349) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide
PubChem CID129005349
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C17H20N4O4S/c1-21-10-12(9-18-21)17-14(6-4-8-24-17)20-26(22,23)11-15-13-5-2-3-7-16(13)25-19-15/h2-3,5,7,9-10,14,17,20H,4,6,8,11H2,1H3/t14-,17+/m0/s1
InChIKeyGAJJQGHCLWZSAB-WMLDXEAASA-N
XLogP1.90
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1-[(2S)-oxolan-2-yl]methanesulfonamide
CID 129333429
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129326979
(4aS,8aR)-6-(1,2-benzoxazol-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 124829189
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129336378
1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 90624657
1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine
CID 129007166
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128992337
1-(1,2-benzoxazol-3-yl)-N-(4-methylpiperazin-1-yl)methanesulfonamide
CID 90624542
1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide
CID 128972184
1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide
CID 126782515
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128997737

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide (CID 129005349) is 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide is Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)Cc2noc3ccccc23)cn1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
The InChIKey is GAJJQGHCLWZSAB-WMLDXEAASA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-21-10-12(9-18-21)17-14(6-4-8-24-17)20-26(22,23)11-15-13-5-2-3-7-16(13)25-19-15/h2-3,5,7,9-10,14,17,20H,4,6,8,11H2,1H3/t14-,17+/m0/s1.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide is sourced from PubChem (CID 129005349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).