5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

C18H21N3O3 — CID 25281084

IUPAC5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c1-2-15-17(19-12-24-15)18(23)20-14-10-16(22)21(11-14)9-8-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyKAVXTPMZXPDTSB-AWEZNQCLSA-N
MW327.38 g/mol
LogP1.81
Rot. Bonds6

About 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 25281084) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID25281084
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c1-2-15-17(19-12-24-15)18(23)20-14-10-16(22)21(11-14)9-8-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyKAVXTPMZXPDTSB-AWEZNQCLSA-N
XLogP1.81
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 42377030
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95714998
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745
6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 25281084) is 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is KAVXTPMZXPDTSB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-15-17(19-12-24-15)18(23)20-14-10-16(22)21(11-14)9-8-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25281084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).