(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide

C12H20N4O4S — CID 94649268

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H]1CCCN1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-8-10(9(2)20-14-8)7-15(3)12(17)11-5-4-6-16(11)21(13,18)19/h11H,4-7H2,1-3H3,(H2,13,18,19)/t11-/m1/s1
InChIKeyGTSAWCSBGXEJIC-LLVKDONJSA-N
MW316.38 g/mol
LogP-0.08
Rot. Bonds4

About (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide (PubChem CID 94649268) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
PubChem CID94649268
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H]1CCCN1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-8-10(9(2)20-14-8)7-15(3)12(17)11-5-4-6-16(11)21(13,18)19/h11H,4-7H2,1-3H3,(H2,13,18,19)/t11-/m1/s1
InChIKeyGTSAWCSBGXEJIC-LLVKDONJSA-N
XLogP-0.08
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97206248
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 97314235
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379121
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 70708816
1-(4-acetylphenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55621390
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210408
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 95146386
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
CID 97001983

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide (CID 94649268) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide is Cc1noc(C)c1CN(C)C(=O)[C@H]1CCCN1S(N)(=O)=O.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide?
The InChIKey is GTSAWCSBGXEJIC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-8-10(9(2)20-14-8)7-15(3)12(17)11-5-4-6-16(11)21(13,18)19/h11H,4-7H2,1-3H3,(H2,13,18,19)/t11-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide?
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94649268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).