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

C16H22N4O4S2 — CID 38088369

IUPAC(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cs1
InChIInChI=1S/C16H22N4O4S2/c1-10-15(11(2)24-19-10)26(22,23)20-8-4-5-14(20)16(21)17-7-6-13-9-25-12(3)18-13/h9,14H,4-8H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyVQLPUTUHVBQCHP-CQSZACIVSA-N
MW398.51 g/mol
LogP1.57
Rot. Bonds6

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

(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 38088369) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID38088369
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC Name(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cs1
InChIInChI=1S/C16H22N4O4S2/c1-10-15(11(2)24-19-10)26(22,23)20-8-4-5-14(20)16(21)17-7-6-13-9-25-12(3)18-13/h9,14H,4-8H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyVQLPUTUHVBQCHP-CQSZACIVSA-N
XLogP1.57
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 38088369) is (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is Cc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cs1.
What is the InChIKey of (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VQLPUTUHVBQCHP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-10-15(11(2)24-19-10)26(22,23)20-8-4-5-14(20)16(21)17-7-6-13-9-25-12(3)18-13/h9,14H,4-8H2,1-3H3,(H,17,21)/t14-/m1/s1.
What are the key properties of (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 38088369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).