5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide

C18H11ClF6N4O3 — CID 56929003

IUPAC5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nn1
InChIInChI=1S/C18H11ClF6N4O3/c19-10-3-1-9(2-4-10)12-6-13(27-28-16(12)31-8-17(20,21)22)15(30)26-7-11-5-14(29-32-11)18(23,24)25/h1-6H,7-8H2,(H,26,30)
InChIKeyMVFSWEFQSHPQJU-UHFFFAOYSA-N
MW480.75 g/mol
LogP4.67
Rot. Bonds6

About 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide

5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide (PubChem CID 56929003) has the molecular formula C18H11ClF6N4O3 and a molecular weight of 480.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide
PubChem CID56929003
Molecular FormulaC18H11ClF6N4O3
Molecular Weight480.75 g/mol
Exact Mass480.04
IUPAC Name5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nn1
InChIInChI=1S/C18H11ClF6N4O3/c19-10-3-1-9(2-4-10)12-6-13(27-28-16(12)31-8-17(20,21)22)15(30)26-7-11-5-14(29-32-11)18(23,24)25/h1-6H,7-8H2,(H,26,30)
InChIKeyMVFSWEFQSHPQJU-UHFFFAOYSA-N
XLogP4.67
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.75
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 56928597
4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 56928692
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 56928594
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 66687293
5-(4-chlorophenyl)-N-[4-(2-hydroxyethyl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71293948
(2E)-N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methoxyiminopropanamide
CID 56961894
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
CID 56961282
1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433829
5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 89443852
5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71294012
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 56961283
5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56929461

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide (CID 56929003) is 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide is O=C(NCc1cc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nn1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is MVFSWEFQSHPQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF6N4O3/c19-10-3-1-9(2-4-10)12-6-13(27-28-16(12)31-8-17(20,21)22)15(30)26-7-11-5-14(29-32-11)18(23,24)25/h1-6H,7-8H2,(H,26,30).
What are the key properties of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 480.75 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56929003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).