N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide

C24H21FN2O2 — CID 45243375

IUPACN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CC(Cc2cccc(F)c2)=NO1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21FN2O2/c25-21-8-4-5-17(13-21)14-22-15-23(29-27-22)16-26-24(28)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,23H,14-16H2,(H,26,28)
InChIKeyKUMPHCYLORMTHW-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.61
Rot. Bonds6

About N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide

N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide (PubChem CID 45243375) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
PubChem CID45243375
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC NameN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CC(Cc2cccc(F)c2)=NO1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21FN2O2/c25-21-8-4-5-17(13-21)14-22-15-23(29-27-22)16-26-24(28)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,23H,14-16H2,(H,26,28)
InChIKeyKUMPHCYLORMTHW-UHFFFAOYSA-N
XLogP4.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45227430
(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
CID 42482102
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
CID 45205568
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45171377
(3R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 26325275
(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide
CID 26319225
2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 42247905
1-oxido-N-[[(5S)-3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyridin-1-ium-4-carboxamide
CID 97352135
N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 102548684
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 125156213
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95207291

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide (CID 45243375) is N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide is O=C(NCC1CC(Cc2cccc(F)c2)=NO1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide?
The InChIKey is KUMPHCYLORMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-21-8-4-5-17(13-21)14-22-15-23(29-27-22)16-26-24(28)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,23H,14-16H2,(H,26,28).
What are the key properties of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide?
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide has a molecular weight of 388.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 45243375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).