N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide

C15H17N3O4S — CID 127805909

IUPACN-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccccc1-c1ccno1
InChIInChI=1S/C15H17N3O4S/c1-16-15(19)12-6-4-10-18(12)23(20,21)14-7-3-2-5-11(14)13-8-9-17-22-13/h2-3,5,7-9,12H,4,6,10H2,1H3,(H,16,19)
InChIKeyJBDTTYUKDBSLRT-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide

N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 127805909) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID127805909
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC NameN-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccccc1-c1ccno1
InChIInChI=1S/C15H17N3O4S/c1-16-15(19)12-6-4-10-18(12)23(20,21)14-7-3-2-5-11(14)13-8-9-17-22-13/h2-3,5,7-9,12H,4,6,10H2,1H3,(H,16,19)
InChIKeyJBDTTYUKDBSLRT-UHFFFAOYSA-N
XLogP1.24
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120999580
1-(4-chloro-2-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305063
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305164
4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
CID 83103393
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60950937
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
(2S)-N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 8019206

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 127805909) is N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)c1ccccc1-c1ccno1.
What is the InChIKey of N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JBDTTYUKDBSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-16-15(19)12-6-4-10-18(12)23(20,21)14-7-3-2-5-11(14)13-8-9-17-22-13/h2-3,5,7-9,12H,4,6,10H2,1H3,(H,16,19).
What are the key properties of N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide?
N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 127805909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).