N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide

C10H13N3O3 — CID 79596352

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(NC(=O)C2CNC(=O)C2)c1C
InChIInChI=1S/C10H13N3O3/c1-5-6(2)13-16-10(5)12-9(15)7-3-8(14)11-4-7/h7H,3-4H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyVOKWJLSTDPREQL-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.37
Rot. Bonds2

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 79596352) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID79596352
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(NC(=O)C2CNC(=O)C2)c1C
InChIInChI=1S/C10H13N3O3/c1-5-6(2)13-16-10(5)12-9(15)7-3-8(14)11-4-7/h7H,3-4H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyVOKWJLSTDPREQL-UHFFFAOYSA-N
XLogP0.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 79596352) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide is Cc1noc(NC(=O)C2CNC(=O)C2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VOKWJLSTDPREQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-6(2)13-16-10(5)12-9(15)7-3-8(14)11-4-7/h7H,3-4H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 223.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 79596352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).