3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide

C10H15N3O3 — CID 178147964

IUPAC3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2cc(=O)[nH]o2)C1
InChIInChI=1S/C10H15N3O3/c1-7-2-3-13(6-7)10(15)11-5-8-4-9(14)12-16-8/h4,7H,2-3,5-6H2,1H3,(H,11,15)(H,12,14)
InChIKeyJYUFATACAHVKFH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.52
Rot. Bonds2

About 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide

3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 178147964) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID178147964
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2cc(=O)[nH]o2)C1
InChIInChI=1S/C10H15N3O3/c1-7-2-3-13(6-7)10(15)11-5-8-4-9(14)12-16-8/h4,7H,2-3,5-6H2,1H3,(H,11,15)(H,12,14)
InChIKeyJYUFATACAHVKFH-UHFFFAOYSA-N
XLogP0.52
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (CID 178147964) is 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is CC1CCN(C(=O)NCc2cc(=O)[nH]o2)C1.
What is the InChIKey of 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is JYUFATACAHVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-2-3-13(6-7)10(15)11-5-8-4-9(14)12-16-8/h4,7H,2-3,5-6H2,1H3,(H,11,15)(H,12,14).
What are the key properties of 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 178147964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).