N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide

C20H15Cl3F3N3O2 — CID 25182665

About N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide

N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide (PubChem CID 25182665) has the molecular formula C20H15Cl3F3N3O2 and a molecular weight of 492.71 g/mol. Its IUPAC name is N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide
• PubChem CID: 25182665
• Molecular Formula: C20H15Cl3F3N3O2
• Molecular Weight: 492.71 g/mol
• Exact Mass: 491.02
• IUPAC Name: N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide
• SMILES: O=C(NCc1ncc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl)C1CC1
• InChI: InChI=1S/C20H15Cl3F3N3O2/c21-13-4-12(5-14(22)6-13)19(20(24,25)26)7-16(29-31-19)11-3-15(23)17(27-8-11)9-28-18(30)10-1-2-10/h3-6,8,10H,1-2,7,9H2,(H,28,30)
• InChIKey: NYTZMLGMRCZMBL-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 63.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.71
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide?

The IUPAC name of N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide (CID 25182665) is N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide?

The canonical SMILES for N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide is O=C(NCc1ncc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl)C1CC1.

What is the InChIKey of N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide?

The InChIKey is NYTZMLGMRCZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3F3N3O2/c21-13-4-12(5-14(22)6-13)19(20(24,25)26)7-16(29-31-19)11-3-15(23)17(27-8-11)9-28-18(30)10-1-2-10/h3-6,8,10H,1-2,7,9H2,(H,28,30).

What are the key properties of N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide?

N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide has a molecular weight of 492.71 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-pyridinyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 25182665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).