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

C19H23N3O3 — CID 42527274

IUPAC5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-2-16-18(20-13-25-16)19(24)21-15-11-17(23)22(12-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyGNFYWEJNWFMXJU-HNNXBMFYSA-N
MW341.41 g/mol
LogP2.20
Rot. Bonds7

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

5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 42527274) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID42527274
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-2-16-18(20-13-25-16)19(24)21-15-11-17(23)22(12-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyGNFYWEJNWFMXJU-HNNXBMFYSA-N
XLogP2.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 42527274) is 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is GNFYWEJNWFMXJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-16-18(20-13-25-16)19(24)21-15-11-17(23)22(12-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.20, 7 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-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42527274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).