3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide

C21H19FN2O4 — CID 46472508

IUPAC3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C21H19FN2O4/c22-15-5-1-4-14(10-15)19-12-20(28-24-19)21(25)23-16-6-2-7-17(11-16)27-13-18-8-3-9-26-18/h1-2,4-7,10-12,18H,3,8-9,13H2,(H,23,25)
InChIKeyAMZPYKFLQLGOFQ-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.29
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 46472508) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID46472508
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C21H19FN2O4/c22-15-5-1-4-14(10-15)19-12-20(28-24-19)21(25)23-16-6-2-7-17(11-16)27-13-18-8-3-9-26-18/h1-2,4-7,10-12,18H,3,8-9,13H2,(H,23,25)
InChIKeyAMZPYKFLQLGOFQ-UHFFFAOYSA-N
XLogP4.29
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 46580008
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide (CID 46472508) is 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(OCC2CCCO2)c1)c1cc(-c2cccc(F)c2)no1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is AMZPYKFLQLGOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-15-5-1-4-14(10-15)19-12-20(28-24-19)21(25)23-16-6-2-7-17(11-16)27-13-18-8-3-9-26-18/h1-2,4-7,10-12,18H,3,8-9,13H2,(H,23,25).
What are the key properties of 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46472508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).