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

C15H20N4O4S2 — CID 75191686

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN2S(=O)(=O)c2c(C)noc2C)cs1
InChIInChI=1S/C15H20N4O4S2/c1-9-14(10(2)23-18-9)25(21,22)19-6-4-5-13(19)15(20)16-7-12-8-24-11(3)17-12/h8,13H,4-7H2,1-3H3,(H,16,20)
InChIKeyHPKJEXZAESLXKR-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.53
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 75191686) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID75191686
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN2S(=O)(=O)c2c(C)noc2C)cs1
InChIInChI=1S/C15H20N4O4S2/c1-9-14(10(2)23-18-9)25(21,22)19-6-4-5-13(19)15(20)16-7-12-8-24-11(3)17-12/h8,13H,4-7H2,1-3H3,(H,16,20)
InChIKeyHPKJEXZAESLXKR-UHFFFAOYSA-N
XLogP1.53
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 75191686) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cc1nc(CNC(=O)C2CCCN2S(=O)(=O)c2c(C)noc2C)cs1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is HPKJEXZAESLXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-9-14(10(2)23-18-9)25(21,22)19-6-4-5-13(19)15(20)16-7-12-8-24-11(3)17-12/h8,13H,4-7H2,1-3H3,(H,16,20).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75191686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).