(5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide

C17H12Cl3F3N4O2 — CID 1471154

About (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide

(5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (PubChem CID 1471154) has the molecular formula C17H12Cl3F3N4O2 and a molecular weight of 467.66 g/mol. Its IUPAC name is (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.

Molecular Properties

• Compound Name: (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
• PubChem CID: 1471154
• Molecular Formula: C17H12Cl3F3N4O2
• Molecular Weight: 467.66 g/mol
• Exact Mass: 466.00
• IUPAC Name: (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
• SMILES: CN(NC(=O)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1)c1ncc(C(F)(F)F)cc1Cl
• InChI: InChI=1S/C17H12Cl3F3N4O2/c1-27(15-11(20)5-8(7-24-15)17(21,22)23)25-16(28)13-6-12(26-29-13)14-9(18)3-2-4-10(14)19/h2-5,7,13H,6H2,1H3,(H,25,28)/t13-/m1/s1
• InChIKey: DBSQMSHNWPWVFM-CYBMUJFWSA-N
• XLogP: 4.72
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.66
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?

The IUPAC name of (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (CID 1471154) is (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.

What is the SMILES notation for (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?

The canonical SMILES for (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is CN(NC(=O)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1)c1ncc(C(F)(F)F)cc1Cl.

What is the InChIKey of (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?

The InChIKey is DBSQMSHNWPWVFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H12Cl3F3N4O2/c1-27(15-11(20)5-8(7-24-15)17(21,22)23)25-16(28)13-6-12(26-29-13)14-9(18)3-2-4-10(14)19/h2-5,7,13H,6H2,1H3,(H,25,28)/t13-/m1/s1.

What are the key properties of (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?

(5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide has a molecular weight of 467.66 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(2,6-dichlorophenyl)-N'-methyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 1471154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).