[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate

C17H16BrN3O5 — CID 3164240

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)no1
InChIInChI=1S/C17H16BrN3O5/c1-10-6-14(20-26-10)19-15(22)9-25-17(24)11-7-16(23)21(8-11)13-4-2-12(18)3-5-13/h2-6,11H,7-9H2,1H3,(H,19,20,22)
InChIKeyORWYVFJOBXAURF-UHFFFAOYSA-N
MW422.24 g/mol
LogP2.28
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 3164240) has the molecular formula C17H16BrN3O5 and a molecular weight of 422.24 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID3164240
Molecular FormulaC17H16BrN3O5
Molecular Weight422.24 g/mol
Exact Mass421.03
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)no1
InChIInChI=1S/C17H16BrN3O5/c1-10-6-14(20-26-10)19-15(22)9-25-17(24)11-7-16(23)21(8-11)13-4-2-12(18)3-5-13/h2-6,11H,7-9H2,1H3,(H,19,20,22)
InChIKeyORWYVFJOBXAURF-UHFFFAOYSA-N
XLogP2.28
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 52.28
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] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate (CID 3164240) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is Cc1cc(NC(=O)COC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is ORWYVFJOBXAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O5/c1-10-6-14(20-26-10)19-15(22)9-25-17(24)11-7-16(23)21(8-11)13-4-2-12(18)3-5-13/h2-6,11H,7-9H2,1H3,(H,19,20,22).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 422.24 g/mol, XLogP of 2.28, 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] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3164240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).