3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C25H23FN2O4 — CID 55644791

IUPAC3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(CNC(=O)C2CC(c3cccc(F)c3)=NO2)ccc1OCc1ccccc1
InChIInChI=1S/C25H23FN2O4/c1-30-23-12-18(10-11-22(23)31-16-17-6-3-2-4-7-17)15-27-25(29)24-14-21(28-32-24)19-8-5-9-20(26)13-19/h2-13,24H,14-16H2,1H3,(H,27,29)
InChIKeyPAVUAABOZNWDML-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.22
Rot. Bonds8

About 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55644791) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55644791
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(CNC(=O)C2CC(c3cccc(F)c3)=NO2)ccc1OCc1ccccc1
InChIInChI=1S/C25H23FN2O4/c1-30-23-12-18(10-11-22(23)31-16-17-6-3-2-4-7-17)15-27-25(29)24-14-21(28-32-24)19-8-5-9-20(26)13-19/h2-13,24H,14-16H2,1H3,(H,27,29)
InChIKeyPAVUAABOZNWDML-UHFFFAOYSA-N
XLogP4.22
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071810
(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94658417
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095928
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237190
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095693
(5S)-3-(3-fluorophenyl)-N-[(2R)-1-(2-methoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93128382
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 71889441
tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 66587122
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55644791) is 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cc(CNC(=O)C2CC(c3cccc(F)c3)=NO2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PAVUAABOZNWDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-30-23-12-18(10-11-22(23)31-16-17-6-3-2-4-7-17)15-27-25(29)24-14-21(28-32-24)19-8-5-9-20(26)13-19/h2-13,24H,14-16H2,1H3,(H,27,29).
What are the key properties of 3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 4.22, 8 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-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55644791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).