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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Related Compounds

3-methyl-N-(2-methylprop-2-enyl)pyrrolidine-1-carboxamide
CID 127013208
5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one
CID 130718592
3-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-1-carboxamide
CID 106415578
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
CID 75387845
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
4-methyl-2-[[(3-methylpyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629705
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 82511399
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide
CID 84589773

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).