N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide

C28H29N3O5 — CID 45141685

IUPACN-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide
SMILESCCNC(=O)c1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)C2C(CC)CC)cc1
InChIInChI=1S/C28H29N3O5/c1-4-17(5-2)24-23(25(32)19-7-9-20(10-8-19)27(34)29-6-3)26(33)28(35)31(24)21-13-11-18(12-14-21)22-15-16-36-30-22/h7-17,23-24H,4-6H2,1-3H3,(H,29,34)
InChIKeyYWOKYOUVNVDYSC-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.31
Rot. Bonds9

About N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide

N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide (PubChem CID 45141685) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide
PubChem CID45141685
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide
SMILESCCNC(=O)c1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)C2C(CC)CC)cc1
InChIInChI=1S/C28H29N3O5/c1-4-17(5-2)24-23(25(32)19-7-9-20(10-8-19)27(34)29-6-3)26(33)28(35)31(24)21-13-11-18(12-14-21)22-15-16-36-30-22/h7-17,23-24H,4-6H2,1-3H3,(H,29,34)
InChIKeyYWOKYOUVNVDYSC-UHFFFAOYSA-N
XLogP4.31
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
The IUPAC name of N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide (CID 45141685) is N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide.
What is the SMILES notation for N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
The canonical SMILES for N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide is CCNC(=O)c1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)C2C(CC)CC)cc1.
What is the InChIKey of N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
The InChIKey is YWOKYOUVNVDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-4-17(5-2)24-23(25(32)19-7-9-20(10-8-19)27(34)29-6-3)26(33)28(35)31(24)21-13-11-18(12-14-21)22-15-16-36-30-22/h7-17,23-24H,4-6H2,1-3H3,(H,29,34).
What are the key properties of N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide has a molecular weight of 487.56 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide is sourced from PubChem (CID 45141685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).