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

C25H19Cl2F3N2O2 — CID 25256552

IUPACN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12)C1CC1
InChIInChI=1S/C25H19Cl2F3N2O2/c26-17-9-16(10-18(27)11-17)24(25(28,29)30)12-22(32-34-24)21-8-7-15(13-31-23(33)14-5-6-14)19-3-1-2-4-20(19)21/h1-4,7-11,14H,5-6,12-13H2,(H,31,33)
InChIKeyOGIOQNNZMOHYTQ-UHFFFAOYSA-N
MW507.34 g/mol
LogP6.76
Rot. Bonds5

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

N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide (PubChem CID 25256552) has the molecular formula C25H19Cl2F3N2O2 and a molecular weight of 507.34 g/mol. Its IUPAC name is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide
PubChem CID25256552
Molecular FormulaC25H19Cl2F3N2O2
Molecular Weight507.34 g/mol
Exact Mass506.08
IUPAC NameN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12)C1CC1
InChIInChI=1S/C25H19Cl2F3N2O2/c26-17-9-16(10-18(27)11-17)24(25(28,29)30)12-22(32-34-24)21-8-7-15(13-31-23(33)14-5-6-14)19-3-1-2-4-20(19)21/h1-4,7-11,14H,5-6,12-13H2,(H,31,33)
InChIKeyOGIOQNNZMOHYTQ-UHFFFAOYSA-N
XLogP6.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.34
LogP ≤ 56.76
H-Bond Donors ≤ 51
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)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide (CID 25256552) is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12)C1CC1.
What is the InChIKey of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide?
The InChIKey is OGIOQNNZMOHYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N2O2/c26-17-9-16(10-18(27)11-17)24(25(28,29)30)12-22(32-34-24)21-8-7-15(13-31-23(33)14-5-6-14)19-3-1-2-4-20(19)21/h1-4,7-11,14H,5-6,12-13H2,(H,31,33).
What are the key properties of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide?
N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide has a molecular weight of 507.34 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 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)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 25256552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).