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

C18H14F4N2O2 — CID 42247905

IUPAC2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CC(Cc2ccc(F)cc2)=NO1)c1cc(F)c(F)cc1F
InChIInChI=1S/C18H14F4N2O2/c19-11-3-1-10(2-4-11)5-12-6-13(26-24-12)9-23-18(25)14-7-16(21)17(22)8-15(14)20/h1-4,7-8,13H,5-6,9H2,(H,23,25)/t13-/m1/s1
InChIKeyZIWBEFUCVOXHGO-CYBMUJFWSA-N
MW366.31 g/mol
LogP3.36
Rot. Bonds5

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

2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 42247905) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID42247905
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CC(Cc2ccc(F)cc2)=NO1)c1cc(F)c(F)cc1F
InChIInChI=1S/C18H14F4N2O2/c19-11-3-1-10(2-4-11)5-12-6-13(26-24-12)9-23-18(25)14-7-16(21)17(22)8-15(14)20/h1-4,7-8,13H,5-6,9H2,(H,23,25)/t13-/m1/s1
InChIKeyZIWBEFUCVOXHGO-CYBMUJFWSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
CID 45175874
(E)-N-[[(5S)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 125156139
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
CID 45243375
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45171377
(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
CID 42482102
2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017144
2-fluoro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052044
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,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide
CID 26319225
[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 57429670
2,4,5-trifluoro-N-[[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42168406
2,4,5-trifluoro-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45176680

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (CID 42247905) is 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is O=C(NC[C@H]1CC(Cc2ccc(F)cc2)=NO1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is ZIWBEFUCVOXHGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-11-3-1-10(2-4-11)5-12-6-13(26-24-12)9-23-18(25)14-7-16(21)17(22)8-15(14)20/h1-4,7-8,13H,5-6,9H2,(H,23,25)/t13-/m1/s1.
What are the key properties of 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 366.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 42247905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).