4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide

C19H12ClF6N3O3 — CID 56928796

IUPAC4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)on1)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)cn1
InChIInChI=1S/C19H12ClF6N3O3/c20-11-3-1-10(2-4-11)13-6-14(27-8-15(13)31-9-18(21,22)23)17(30)28-7-12-5-16(32-29-12)19(24,25)26/h1-6,8H,7,9H2,(H,28,30)
InChIKeyALOMHJVAFMPODQ-UHFFFAOYSA-N
MW479.76 g/mol
LogP5.28
Rot. Bonds6

About 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide

4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 56928796) has the molecular formula C19H12ClF6N3O3 and a molecular weight of 479.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide
PubChem CID56928796
Molecular FormulaC19H12ClF6N3O3
Molecular Weight479.76 g/mol
Exact Mass479.05
IUPAC Name4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)on1)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)cn1
InChIInChI=1S/C19H12ClF6N3O3/c20-11-3-1-10(2-4-11)13-6-14(27-8-15(13)31-9-18(21,22)23)17(30)28-7-12-5-16(32-29-12)19(24,25)26/h1-6,8H,7,9H2,(H,28,30)
InChIKeyALOMHJVAFMPODQ-UHFFFAOYSA-N
XLogP5.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.76
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide (CID 56928796) is 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide is O=C(NCc1cc(C(F)(F)F)on1)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is ALOMHJVAFMPODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF6N3O3/c20-11-3-1-10(2-4-11)13-6-14(27-8-15(13)31-9-18(21,22)23)17(30)28-7-12-5-16(32-29-12)19(24,25)26/h1-6,8H,7,9H2,(H,28,30).
What are the key properties of 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide?
4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 479.76 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56928796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).