N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide

C20H17Cl2F3N2O3 — CID 90825822

IUPACN-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide
SMILESCC(=O)NOCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C
InChIInChI=1S/C20H17Cl2F3N2O3/c1-11-3-4-13(5-14(11)10-29-26-12(2)28)18-9-19(30-27-18,20(23,24)25)15-6-16(21)8-17(22)7-15/h3-9,27H,10H2,1-2H3,(H,26,28)
InChIKeyRCLOLUREAGZIHI-UHFFFAOYSA-N
MW461.27 g/mol
LogP5.20
Rot. Bonds5

About N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide

N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide (PubChem CID 90825822) has the molecular formula C20H17Cl2F3N2O3 and a molecular weight of 461.27 g/mol. Its IUPAC name is N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide
PubChem CID90825822
Molecular FormulaC20H17Cl2F3N2O3
Molecular Weight461.27 g/mol
Exact Mass460.06
IUPAC NameN-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide
SMILESCC(=O)NOCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C
InChIInChI=1S/C20H17Cl2F3N2O3/c1-11-3-4-13(5-14(11)10-29-26-12(2)28)18-9-19(30-27-18,20(23,24)25)15-6-16(21)8-17(22)7-15/h3-9,27H,10H2,1-2H3,(H,26,28)
InChIKeyRCLOLUREAGZIHI-UHFFFAOYSA-N
XLogP5.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.27
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide?
The IUPAC name of N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide (CID 90825822) is N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide.
What is the SMILES notation for N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide?
The canonical SMILES for N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide is CC(=O)NOCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C.
What is the InChIKey of N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide?
The InChIKey is RCLOLUREAGZIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N2O3/c1-11-3-4-13(5-14(11)10-29-26-12(2)28)18-9-19(30-27-18,20(23,24)25)15-6-16(21)8-17(22)7-15/h3-9,27H,10H2,1-2H3,(H,26,28).
What are the key properties of N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide?
N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide has a molecular weight of 461.27 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]methoxy]acetamide is sourced from PubChem (CID 90825822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).