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

C18H14F4N2O2 — CID 23640776

IUPAC3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC1C(ON=C1C2=CC=CC=C2F)C(=O)NCC3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C18H14F4N2O2/c19-14-7-2-1-6-13(14)15-9-16(26-24-15)17(25)23-10-11-4-3-5-12(8-11)18(20,21)22/h1-8,16H,9-10H2,(H,23,25)
InChIKeyJCYSHOIXJAIDTJ-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.60
Rot. Bonds4

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

3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 23640776) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID23640776
Molecular FormulaC18H14F4N2O2
Molecular Weight366.30 g/mol
Exact Mass366.10
IUPAC Name3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC1C(ON=C1C2=CC=CC=C2F)C(=O)NCC3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C18H14F4N2O2/c19-14-7-2-1-6-13(14)15-9-16(26-24-15)17(25)23-10-11-4-3-5-12(8-11)18(20,21)22/h1-8,16H,9-10H2,(H,23,25)
InChIKeyJCYSHOIXJAIDTJ-UHFFFAOYSA-N
XLogP3.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity538

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
N-[3,5-bis(trifluoromethyl)benzyl]-3-(3-nitrophenyl)-2-isoxazoline-5-carboxamide
CID 11958537
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958545
N-butyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681849
3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681858
3-[2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681875
N-(4-phenylbutyl)-3-[2-(trifluoromethyl)phenyl]-2-isoxazoline-5-carboxamide
CID 16681885
N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681935
3-(3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681946
3-[4-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carboxamide
CID 16681990
3-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681992
3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681993

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 23640776) is 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is C1C(ON=C1C2=CC=CC=C2F)C(=O)NCC3=CC(=CC=C3)C(F)(F)F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JCYSHOIXJAIDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-14-7-2-1-6-13(14)15-9-16(26-24-15)17(25)23-10-11-4-3-5-12(8-11)18(20,21)22/h1-8,16H,9-10H2,(H,23,25).
What are the key properties of 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 366.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 23640776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).