(2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide

C15H16N4O4S — CID 51498731

IUPAC(2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide
SMILESCS(=O)(=O)N1CC=C[C@@H]1C(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O4S/c1-24(21,22)19-9-5-8-12(19)14(20)16-10-13-17-15(23-18-13)11-6-3-2-4-7-11/h2-8,12H,9-10H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyLNMMCCAXZZNURQ-GFCCVEGCSA-N
MW348.38 g/mol
LogP0.55
Rot. Bonds5

About (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide

(2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide (PubChem CID 51498731) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide
PubChem CID51498731
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name(2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide
SMILESCS(=O)(=O)N1CC=C[C@@H]1C(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O4S/c1-24(21,22)19-9-5-8-12(19)14(20)16-10-13-17-15(23-18-13)11-6-3-2-4-7-11/h2-8,12H,9-10H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyLNMMCCAXZZNURQ-GFCCVEGCSA-N
XLogP0.55
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide (CID 51498731) is (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide is CS(=O)(=O)N1CC=C[C@@H]1C(=O)NCc1noc(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is LNMMCCAXZZNURQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-24(21,22)19-9-5-8-12(19)14(20)16-10-13-17-15(23-18-13)11-6-3-2-4-7-11/h2-8,12H,9-10H2,1H3,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide?
(2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 51498731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).