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

C20H13F9N2O2 — CID 16681993

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1
InChIInChI=1S/C20H13F9N2O2/c21-18(22,23)12-5-11(6-13(7-12)19(24,25)26)15-8-16(33-31-15)17(32)30-9-10-3-1-2-4-14(10)20(27,28)29/h1-7,16H,8-9H2,(H,30,32)
InChIKeyDDQFIQNXNOHKJN-UHFFFAOYSA-N
MW484.32 g/mol
LogP5.55
Rot. Bonds4

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

3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681993) has the molecular formula C20H13F9N2O2 and a molecular weight of 484.32 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681993
Molecular FormulaC20H13F9N2O2
Molecular Weight484.32 g/mol
Exact Mass484.08
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1
InChIInChI=1S/C20H13F9N2O2/c21-18(22,23)12-5-11(6-13(7-12)19(24,25)26)15-8-16(33-31-15)17(32)30-9-10-3-1-2-4-14(10)20(27,28)29/h1-7,16H,8-9H2,(H,30,32)
InChIKeyDDQFIQNXNOHKJN-UHFFFAOYSA-N
XLogP5.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.32
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide 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-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole-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
N-[(3-bromophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681994
N-propyl-3-[4-(trifluoromethyl)phenyl]-2-isoxazoline-5-carboxamide
CID 16745467

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681993) is 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DDQFIQNXNOHKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F9N2O2/c21-18(22,23)12-5-11(6-13(7-12)19(24,25)26)15-8-16(33-31-15)17(32)30-9-10-3-1-2-4-14(10)20(27,28)29/h1-7,16H,8-9H2,(H,30,32).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 484.32 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).