(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide

C19H23N3O2 — CID 129353248

IUPAC(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
SMILESCCc1noc(C)c1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-17-18(14(2)24-21-17)20-19(23)22-13-7-10-16(22)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,16H,3,7,10,13H2,1-2H3,(H,20,23)/b12-11+/t16-/m0/s1
InChIKeyHJEOMXKDUPHNJZ-PCUGXKRQSA-N
MW325.41 g/mol
LogP4.26
Rot. Bonds4

About (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide

(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide (PubChem CID 129353248) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
PubChem CID129353248
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
SMILESCCc1noc(C)c1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-17-18(14(2)24-21-17)20-19(23)22-13-7-10-16(22)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,16H,3,7,10,13H2,1-2H3,(H,20,23)/b12-11+/t16-/m0/s1
InChIKeyHJEOMXKDUPHNJZ-PCUGXKRQSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 124568403
N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide
CID 91944133
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677
4-[[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]amino]butanoic acid
CID 122022245
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 109397223
(3aS,6aR)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122088047
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 129358849
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
(3aS,6aS)-2-benzyl-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 128965687
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
4-[(E)-2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]ethenyl]benzoic acid
CID 20738234

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide (CID 129353248) is (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide is CCc1noc(C)c1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
The InChIKey is HJEOMXKDUPHNJZ-PCUGXKRQSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-17-18(14(2)24-21-17)20-19(23)22-13-7-10-16(22)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,16H,3,7,10,13H2,1-2H3,(H,20,23)/b12-11+/t16-/m0/s1.
What are the key properties of (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129353248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).