N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

C14H19N3O3 — CID 134708371

IUPACN-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2onc(CC)c2C)CC1=O
InChIInChI=1S/C14H19N3O3/c1-4-6-17-8-10(7-12(17)18)13(19)15-14-9(3)11(5-2)16-20-14/h4,10H,1,5-8H2,2-3H3,(H,15,19)
InChIKeyXZAJBZLTKJDNEO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.52
Rot. Bonds5

About N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 134708371) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID134708371
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2onc(CC)c2C)CC1=O
InChIInChI=1S/C14H19N3O3/c1-4-6-17-8-10(7-12(17)18)13(19)15-14-9(3)11(5-2)16-20-14/h4,10H,1,5-8H2,2-3H3,(H,15,19)
InChIKeyXZAJBZLTKJDNEO-UHFFFAOYSA-N
XLogP1.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-1,4-diazepane-1-carbonyl]-1-prop-2-enylpyrrolidin-2-one
CID 137340669
(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
CID 94075728
N-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 171686508
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131900696
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131903203
(3R)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 42483984
5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
CID 131943338
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
(3S)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 51502969
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 46965441
4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 113181988
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 95131890

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (CID 134708371) is N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1CC(C(=O)Nc2onc(CC)c2C)CC1=O.
What is the InChIKey of N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is XZAJBZLTKJDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-6-17-8-10(7-12(17)18)13(19)15-14-9(3)11(5-2)16-20-14/h4,10H,1,5-8H2,2-3H3,(H,15,19).
What are the key properties of N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 134708371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).