1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

C17H19N5O4S — CID 129326979

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2noc3ccccc23)C1=O
InChIInChI=1S/C17H19N5O4S/c1-21-16(8-9-18-21)22-10-4-6-13(17(22)23)20-27(24,25)11-14-12-5-2-3-7-15(12)26-19-14/h2-3,5,7-9,13,20H,4,6,10-11H2,1H3/t13-/m1/s1
InChIKeyPCUZFLVNFRDTPJ-CYBMUJFWSA-N
MW389.44 g/mol
LogP1.18
Rot. Bonds5

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

1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 129326979) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID129326979
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2noc3ccccc23)C1=O
InChIInChI=1S/C17H19N5O4S/c1-21-16(8-9-18-21)22-10-4-6-13(17(22)23)20-27(24,25)11-14-12-5-2-3-7-15(12)26-19-14/h2-3,5,7-9,13,20H,4,6,10-11H2,1H3/t13-/m1/s1
InChIKeyPCUZFLVNFRDTPJ-CYBMUJFWSA-N
XLogP1.18
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198
1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129000207
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523
1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 128995165
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 90624657
(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide
CID 129002587
1-(1,2-benzoxazol-3-yl)-N-(4-methylpiperazin-1-yl)methanesulfonamide
CID 90624542
1-(1,2-benzoxazol-3-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide
CID 129005349
6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129327545
(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
CID 129399889

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 129326979) is 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is Cn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2noc3ccccc23)C1=O.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is PCUZFLVNFRDTPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-21-16(8-9-18-21)22-10-4-6-13(17(22)23)20-27(24,25)11-14-12-5-2-3-7-15(12)26-19-14/h2-3,5,7-9,13,20H,4,6,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 389.44 g/mol, XLogP of 1.18, 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-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 129326979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).