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

C18H14F4N2O3 — CID 16681860

IUPAC3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C18H14F4N2O3/c19-13-3-1-2-12(8-13)15-9-16(27-24-15)17(25)23-10-11-4-6-14(7-5-11)26-18(20,21)22/h1-8,16H,9-10H2,(H,23,25)
InChIKeyGKXGYWGLEPQQKZ-UHFFFAOYSA-N
MW382.31 g/mol
LogP3.53
Rot. Bonds5

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

3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681860) has the molecular formula C18H14F4N2O3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681860
Molecular FormulaC18H14F4N2O3
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C18H14F4N2O3/c19-13-3-1-2-12(8-13)15-9-16(27-24-15)17(25)23-10-11-4-6-14(7-5-11)26-18(20,21)22/h1-8,16H,9-10H2,(H,23,25)
InChIKeyGKXGYWGLEPQQKZ-UHFFFAOYSA-N
XLogP3.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681860) is 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GKXGYWGLEPQQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O3/c19-13-3-1-2-12(8-13)15-9-16(27-24-15)17(25)23-10-11-4-6-14(7-5-11)26-18(20,21)22/h1-8,16H,9-10H2,(H,23,25).
What are the key properties of 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 382.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).