1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C16H20N4O4S — CID 20969677

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1C(=O)NCc1cccnc1
InChIInChI=1S/C16H20N4O4S/c1-11-15(12(2)24-19-11)25(22,23)20-8-4-6-14(20)16(21)18-10-13-5-3-7-17-9-13/h3,5,7,9,14H,4,6,8,10H2,1-2H3,(H,18,21)
InChIKeyBUVQFCFUCJCDKS-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.16
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 20969677) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID20969677
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1C(=O)NCc1cccnc1
InChIInChI=1S/C16H20N4O4S/c1-11-15(12(2)24-19-11)25(22,23)20-8-4-6-14(20)16(21)18-10-13-5-3-7-17-9-13/h3,5,7,9,14H,4,6,8,10H2,1-2H3,(H,18,21)
InChIKeyBUVQFCFUCJCDKS-UHFFFAOYSA-N
XLogP1.16
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 20969677) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC1C(=O)NCc1cccnc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is BUVQFCFUCJCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11-15(12(2)24-19-11)25(22,23)20-8-4-6-14(20)16(21)18-10-13-5-3-7-17-9-13/h3,5,7,9,14H,4,6,8,10H2,1-2H3,(H,18,21).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 20969677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).