5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C21H21FN2O4 — CID 118536721

IUPAC5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(C(F)OCc2ccc3ccccc3c2)on1
InChIInChI=1S/C21H21FN2O4/c22-20(27-13-14-5-6-16-3-1-2-4-17(16)9-14)19-10-18(24-28-19)21(25)23-11-15-7-8-26-12-15/h1-6,9-10,15,20H,7-8,11-13H2,(H,23,25)
InChIKeyOBXYTKVITKZJCL-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.78
Rot. Bonds7

About 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536721) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536721
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(C(F)OCc2ccc3ccccc3c2)on1
InChIInChI=1S/C21H21FN2O4/c22-20(27-13-14-5-6-16-3-1-2-4-17(16)9-14)19-10-18(24-28-19)21(25)23-11-15-7-8-26-12-15/h1-6,9-10,15,20H,7-8,11-13H2,(H,23,25)
InChIKeyOBXYTKVITKZJCL-UHFFFAOYSA-N
XLogP3.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-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 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118536721) is 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(C(F)OCc2ccc3ccccc3c2)on1.
What is the InChIKey of 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OBXYTKVITKZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-20(27-13-14-5-6-16-3-1-2-4-17(16)9-14)19-10-18(24-28-19)21(25)23-11-15-7-8-26-12-15/h1-6,9-10,15,20H,7-8,11-13H2,(H,23,25).
What are the key properties of 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(naphthalen-2-ylmethoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).