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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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).