3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H19FN2O3 — CID 45191760

IUPAC3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C22H19FN2O3/c23-17-10-8-15(9-11-17)13-18-14-20(28-25-18)22(26)24-21(19-7-4-12-27-19)16-5-2-1-3-6-16/h1-12,20-21H,13-14H2,(H,24,26)
InChIKeyFMVGPRGAOWBUII-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.01
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45191760) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45191760
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C22H19FN2O3/c23-17-10-8-15(9-11-17)13-18-14-20(28-25-18)22(26)24-21(19-7-4-12-27-19)16-5-2-1-3-6-16/h1-12,20-21H,13-14H2,(H,24,26)
InChIKeyFMVGPRGAOWBUII-UHFFFAOYSA-N
XLogP4.01
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26350050
(5S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42169616
(3R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 26325275
N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134036544
(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98536736
azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45233150
[2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 41259205
[2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 41259204
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200
(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 45222468
[(5R)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 26325624
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45191760) is 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC(c1ccccc1)c1ccco1)C1CC(Cc2ccc(F)cc2)=NO1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FMVGPRGAOWBUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-17-10-8-15(9-11-17)13-18-14-20(28-25-18)22(26)24-21(19-7-4-12-27-19)16-5-2-1-3-6-16/h1-12,20-21H,13-14H2,(H,24,26).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45191760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).