5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide

C15H17N3O4S — CID 2567345

IUPAC5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)no1
InChIInChI=1S/C15H17N3O4S/c1-11-10-14(17-22-11)15(19)16-12-4-6-13(7-5-12)23(20,21)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,16,19)
InChIKeyDNASKCSHEIVJSG-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.02
Rot. Bonds4

About 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 2567345) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID2567345
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)no1
InChIInChI=1S/C15H17N3O4S/c1-11-10-14(17-22-11)15(19)16-12-4-6-13(7-5-12)23(20,21)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,16,19)
InChIKeyDNASKCSHEIVJSG-UHFFFAOYSA-N
XLogP2.02
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 827440
3-Isoxazolecarboxamide, 5-methyl-N-phenyl-
CID 2744550
5-methyl-N-(2-(methylthio)phenyl)isoxazole-3-carboxamide
CID 1247789
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5-dimethylisoxazole-4-sulfonamide
CID 3245642
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 5047238
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6468073
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 24979895
2-Amino-N-[4-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-acetamide
CID 44276828
5-[1-(benzenesulfonyl)piperidin-2-yl]-N-propyl-1,2-oxazole-3-carboxamide
CID 49778793
5-[1-(benzenesulfonyl)piperidin-2-yl]-N-phenyl-1,2-oxazole-3-carboxamide
CID 49789533
5-cyclopropyl-N-((2S,4S)-2-methyl-1-(phenylsulfonyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132242640
5-cyclopropyl-N-((1R,3r,5S)-8-(phenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)isoxazole-3-carboxamide
CID 132242679

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (CID 2567345) is 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)no1.
What is the InChIKey of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DNASKCSHEIVJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11-10-14(17-22-11)15(19)16-12-4-6-13(7-5-12)23(20,21)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,16,19).
What are the key properties of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2567345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).