dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide

C37H27Cl3F10N6O4 — CID 161009914

IUPACdichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCCc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.CCc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.ClCCl.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C18H12F5N3O2.C11H10F3N3O.C7H3ClF2O.CH2Cl2/c1-2-12-15(26-17(28-12)18(21,22)23)9-6-7-13(24-8-9)25-16(27)14-10(19)4-3-5-11(14)20;1-2-7-9(6-3-4-8(15)16-5-6)17-10(18-7)11(12,13)14;8-7(11)6-4(9)2-1-3-5(6)10;2-1-3/h3-8H,2H2,1H3,(H,24,25,27);3-5H,2H2,1H3,(H2,15,16);1-3H;1H2
InChIKeyTWZORTLVLYQVAU-UHFFFAOYSA-N
MW916.00 g/mol
LogP11.51
Rot. Bonds7

About dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide

dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 161009914) has the molecular formula C37H27Cl3F10N6O4 and a molecular weight of 916.00 g/mol. Its IUPAC name is dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Namedichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID161009914
Molecular FormulaC37H27Cl3F10N6O4
Molecular Weight916.00 g/mol
Exact Mass914.10
IUPAC Namedichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCCc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.CCc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.ClCCl.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C18H12F5N3O2.C11H10F3N3O.C7H3ClF2O.CH2Cl2/c1-2-12-15(26-17(28-12)18(21,22)23)9-6-7-13(24-8-9)25-16(27)14-10(19)4-3-5-11(14)20;1-2-7-9(6-3-4-8(15)16-5-6)17-10(18-7)11(12,13)14;8-7(11)6-4(9)2-1-3-5(6)10;2-1-3/h3-8H,2H2,1H3,(H,24,25,27);3-5H,2H2,1H3,(H2,15,16);1-3H;1H2
InChIKeyTWZORTLVLYQVAU-UHFFFAOYSA-N
XLogP11.51
TPSA150.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.00
LogP ≤ 511.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride
CID 158422454
2-chloro-3-fluorobenzoyl chloride;2-chloro-3-fluoro-N-[5-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]benzamide;dichloromethane;5-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine
CID 162071909
2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide
CID 161404986
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 162011863
N-[5-(5-ethyl-2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-2-fluorobenzamide
CID 118346244
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-2-pyridinyl]benzamide;5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyridin-2-amine
CID 159159544
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide
CID 89264079
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
N-(6-amino-3-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107015825

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide (CID 161009914) is dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide is CCc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.CCc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.ClCCl.O=C(Cl)c1c(F)cccc1F.
What is the InChIKey of dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is TWZORTLVLYQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O2.C11H10F3N3O.C7H3ClF2O.CH2Cl2/c1-2-12-15(26-17(28-12)18(21,22)23)9-6-7-13(24-8-9)25-16(27)14-10(19)4-3-5-11(14)20;1-2-7-9(6-3-4-8(15)16-5-6)17-10(18-7)11(12,13)14;8-7(11)6-4(9)2-1-3-5(6)10;2-1-3/h3-8H,2H2,1H3,(H,24,25,27);3-5H,2H2,1H3,(H2,15,16);1-3H;1H2.
What are the key properties of dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide?
dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 916.00 g/mol, XLogP of 11.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 161009914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).