N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

C19H22FN3O4 — CID 72843700

IUPACN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCc2cc(-c3cccc(F)c3)no2)CC1
InChIInChI=1S/C19H22FN3O4/c1-26-12-18(24)23-7-5-13(6-8-23)19(25)21-11-16-10-17(22-27-16)14-3-2-4-15(20)9-14/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,25)
InChIKeyQKMZCFGVWWCDPA-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.98
Rot. Bonds6

About N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 72843700) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID72843700
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCc2cc(-c3cccc(F)c3)no2)CC1
InChIInChI=1S/C19H22FN3O4/c1-26-12-18(24)23-7-5-13(6-8-23)19(25)21-11-16-10-17(22-27-16)14-3-2-4-15(20)9-14/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,25)
InChIKeyQKMZCFGVWWCDPA-UHFFFAOYSA-N
XLogP1.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-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-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 72843700) is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)NCc2cc(-c3cccc(F)c3)no2)CC1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is QKMZCFGVWWCDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-26-12-18(24)23-7-5-13(6-8-23)19(25)21-11-16-10-17(22-27-16)14-3-2-4-15(20)9-14/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,25).
What are the key properties of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 72843700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).