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

C21H17Cl2F3N2O2 — CID 91399879

IUPACN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1)C1CC1
InChIInChI=1S/C21H17Cl2F3N2O2/c22-16-7-15(8-17(23)9-16)20(21(24,25)26)10-18(28-30-20)13-3-1-12(2-4-13)11-27-19(29)14-5-6-14/h1-4,7-10,14,28H,5-6,11H2,(H,27,29)
InChIKeyFQNPJBPLEHXCRZ-UHFFFAOYSA-N
MW457.28 g/mol
LogP5.35
Rot. Bonds5

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

N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 91399879) has the molecular formula C21H17Cl2F3N2O2 and a molecular weight of 457.28 g/mol. Its IUPAC name is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID91399879
Molecular FormulaC21H17Cl2F3N2O2
Molecular Weight457.28 g/mol
Exact Mass456.06
IUPAC NameN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1)C1CC1
InChIInChI=1S/C21H17Cl2F3N2O2/c22-16-7-15(8-17(23)9-16)20(21(24,25)26)10-18(28-30-20)13-3-1-12(2-4-13)11-27-19(29)14-5-6-14/h1-4,7-10,14,28H,5-6,11H2,(H,27,29)
InChIKeyFQNPJBPLEHXCRZ-UHFFFAOYSA-N
XLogP5.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.28
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide (CID 91399879) is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1)C1CC1.
What is the InChIKey of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is FQNPJBPLEHXCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F3N2O2/c22-16-7-15(8-17(23)9-16)20(21(24,25)26)10-18(28-30-20)13-3-1-12(2-4-13)11-27-19(29)14-5-6-14/h1-4,7-10,14,28H,5-6,11H2,(H,27,29).
What are the key properties of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 457.28 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 91399879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).