methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate

C18H19N3O5 — CID 163716092

IUPACmethyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate
SMILESCCc1cc(NC(=O)[C@@H]2CCC(=O)N2c2cccc(C(=O)OC)c2)no1
InChIInChI=1S/C18H19N3O5/c1-3-13-10-15(20-26-13)19-17(23)14-7-8-16(22)21(14)12-6-4-5-11(9-12)18(24)25-2/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,19,20,23)/t14-/m0/s1
InChIKeyKNLREHCVHCYUIV-AWEZNQCLSA-N
MW357.37 g/mol
LogP2.16
Rot. Bonds5

About methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate

methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate (PubChem CID 163716092) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate
PubChem CID163716092
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Namemethyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate
SMILESCCc1cc(NC(=O)[C@@H]2CCC(=O)N2c2cccc(C(=O)OC)c2)no1
InChIInChI=1S/C18H19N3O5/c1-3-13-10-15(20-26-13)19-17(23)14-7-8-16(22)21(14)12-6-4-5-11(9-12)18(24)25-2/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,19,20,23)/t14-/m0/s1
InChIKeyKNLREHCVHCYUIV-AWEZNQCLSA-N
XLogP2.16
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate with MolForge

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Related Compounds

(2S)-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 70876170
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953414
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
CID 89054318
ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate
CID 110428312
N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373835
(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46844062
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 77437771
N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate (CID 163716092) is methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate is CCc1cc(NC(=O)[C@@H]2CCC(=O)N2c2cccc(C(=O)OC)c2)no1.
What is the InChIKey of methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate?
The InChIKey is KNLREHCVHCYUIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-13-10-15(20-26-13)19-17(23)14-7-8-16(22)21(14)12-6-4-5-11(9-12)18(24)25-2/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,19,20,23)/t14-/m0/s1.
What are the key properties of methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate?
methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate has a molecular weight of 357.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S)-2-[(5-ethyl-1,2-oxazol-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 163716092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).