N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide

C10H13N3O5S — CID 110387889

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCC(=O)N2S(C)(=O)=O)no1
InChIInChI=1S/C10H13N3O5S/c1-6-5-8(12-18-6)11-10(15)7-3-4-9(14)13(7)19(2,16)17/h5,7H,3-4H2,1-2H3,(H,11,12,15)
InChIKeyDLSJJFLMXYACBP-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.13
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387889) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110387889
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCC(=O)N2S(C)(=O)=O)no1
InChIInChI=1S/C10H13N3O5S/c1-6-5-8(12-18-6)11-10(15)7-3-4-9(14)13(7)19(2,16)17/h5,7H,3-4H2,1-2H3,(H,11,12,15)
InChIKeyDLSJJFLMXYACBP-UHFFFAOYSA-N
XLogP-0.13
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 95738994
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24657976
1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170990
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110349374
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide (CID 110387889) is N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2CCC(=O)N2S(C)(=O)=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DLSJJFLMXYACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-6-5-8(12-18-6)11-10(15)7-3-4-9(14)13(7)19(2,16)17/h5,7H,3-4H2,1-2H3,(H,11,12,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 287.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).