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

C17H18FN3O3 — CID 45205102

IUPACN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O3/c1-11-16(19-10-24-11)17(23)20-14-8-15(22)21(9-14)7-6-12-2-4-13(18)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,20,23)
InChIKeyDHDVMXBZYXOAIQ-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.70
Rot. Bonds5

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

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 45205102) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID45205102
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O3/c1-11-16(19-10-24-11)17(23)20-14-8-15(22)21(9-14)7-6-12-2-4-13(18)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,20,23)
InChIKeyDHDVMXBZYXOAIQ-UHFFFAOYSA-N
XLogP1.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-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 N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 45205102) is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is DHDVMXBZYXOAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-16(19-10-24-11)17(23)20-14-8-15(22)21(9-14)7-6-12-2-4-13(18)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,20,23).
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45205102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).