[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate

C17H17N3O5 — CID 3164236

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C17H17N3O5/c1-11-7-14(19-25-11)18-15(21)10-24-17(23)12-8-16(22)20(9-12)13-5-3-2-4-6-13/h2-7,12H,8-10H2,1H3,(H,18,19,21)
InChIKeyVIQACFAFVDHTDB-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.52
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 3164236) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID3164236
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C17H17N3O5/c1-11-7-14(19-25-11)18-15(21)10-24-17(23)12-8-16(22)20(9-12)13-5-3-2-4-6-13/h2-7,12H,8-10H2,1H3,(H,18,19,21)
InChIKeyVIQACFAFVDHTDB-UHFFFAOYSA-N
XLogP1.52
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 3164236) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate is Cc1cc(NC(=O)COC(=O)C2CC(=O)N(c3ccccc3)C2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is VIQACFAFVDHTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-7-14(19-25-11)18-15(21)10-24-17(23)12-8-16(22)20(9-12)13-5-3-2-4-6-13/h2-7,12H,8-10H2,1H3,(H,18,19,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 3164236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).