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

C19H13F7N2O2 — CID 23640775

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C19H13F7N2O2/c20-14-4-2-1-3-13(14)15-8-16(30-28-15)17(29)27-9-10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-7,16H,8-9H2,(H,27,29)
InChIKeyUUBZVXRKTSPXAV-UHFFFAOYSA-N
MW434.31 g/mol
LogP4.67
Rot. Bonds4

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 23640775) has the molecular formula C19H13F7N2O2 and a molecular weight of 434.31 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID23640775
Molecular FormulaC19H13F7N2O2
Molecular Weight434.31 g/mol
Exact Mass434.09
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C19H13F7N2O2/c20-14-4-2-1-3-13(14)15-8-16(30-28-15)17(29)27-9-10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-7,16H,8-9H2,(H,27,29)
InChIKeyUUBZVXRKTSPXAV-UHFFFAOYSA-N
XLogP4.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 23640775) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UUBZVXRKTSPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F7N2O2/c20-14-4-2-1-3-13(14)15-8-16(30-28-15)17(29)27-9-10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-7,16H,8-9H2,(H,27,29).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 434.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 23640775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).