2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

C18H20FN3O3 — CID 45228636

IUPAC2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC2CC(=O)N(Cc3cccc(F)c3)C2)o1
InChIInChI=1S/C18H20FN3O3/c1-3-15-20-11(2)17(25-15)18(24)21-14-8-16(23)22(10-14)9-12-5-4-6-13(19)7-12/h4-7,14H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyQEQWTCUZMPMBMK-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.22
Rot. Bonds5

About 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45228636) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45228636
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC2CC(=O)N(Cc3cccc(F)c3)C2)o1
InChIInChI=1S/C18H20FN3O3/c1-3-15-20-11(2)17(25-15)18(24)21-14-8-16(23)22(10-14)9-12-5-4-6-13(19)7-12/h4-7,14H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyQEQWTCUZMPMBMK-UHFFFAOYSA-N
XLogP2.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide 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 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 45228636) is 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NC2CC(=O)N(Cc3cccc(F)c3)C2)o1.
What is the InChIKey of 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is QEQWTCUZMPMBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-3-15-20-11(2)17(25-15)18(24)21-14-8-16(23)22(10-14)9-12-5-4-6-13(19)7-12/h4-7,14H,3,8-10H2,1-2H3,(H,21,24).
What are the key properties of 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45228636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).