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

C22H17Cl2F3N2O2 — CID 122593392

IUPACN-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(/C=C/C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1)C1CC1
InChIInChI=1S/C22H17Cl2F3N2O2/c23-16-9-15(10-17(24)11-16)21(22(25,26)27)12-19(29-31-21)7-4-13-2-1-3-18(8-13)28-20(30)14-5-6-14/h1-4,7-11,14H,5-6,12H2,(H,28,30)/b7-4+
InChIKeyXNLLKWJDAKBTJP-QPJJXVBHSA-N
MW469.29 g/mol
LogP6.59
Rot. Bonds5

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

N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide (PubChem CID 122593392) has the molecular formula C22H17Cl2F3N2O2 and a molecular weight of 469.29 g/mol. Its IUPAC name is N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide
PubChem CID122593392
Molecular FormulaC22H17Cl2F3N2O2
Molecular Weight469.29 g/mol
Exact Mass468.06
IUPAC NameN-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(/C=C/C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1)C1CC1
InChIInChI=1S/C22H17Cl2F3N2O2/c23-16-9-15(10-17(24)11-16)21(22(25,26)27)12-19(29-31-21)7-4-13-2-1-3-18(8-13)28-20(30)14-5-6-14/h1-4,7-11,14H,5-6,12H2,(H,28,30)/b7-4+
InChIKeyXNLLKWJDAKBTJP-QPJJXVBHSA-N
XLogP6.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.29
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
CID 145161709
N-[(2-chlorophenyl)-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methyl]cyclobutanecarboxamide
CID 86723375
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide
CID 56645446
N'-[(1E,3Z)-4-chloro-1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]hexa-1,3,5-trien-3-yl]butanehydrazide
CID 158058637
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
CID 147939216
tert-butyl 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
CID 58498015
tert-butyl-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]carbamic acid
CID 66696736
5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 141440591
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide (CID 122593392) is N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(/C=C/C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1)C1CC1.
What is the InChIKey of N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XNLLKWJDAKBTJP-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2O2/c23-16-9-15(10-17(24)11-16)21(22(25,26)27)12-19(29-31-21)7-4-13-2-1-3-18(8-13)28-20(30)14-5-6-14/h1-4,7-11,14H,5-6,12H2,(H,28,30)/b7-4+.
What are the key properties of N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide?
N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide has a molecular weight of 469.29 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 122593392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).