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

C24H22ClF3N2O2 — CID 145161709

IUPACN-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Cl)cc(C2(C(F)(F)F)CC(/C=C/c3ccc(C)c(NC(=O)C4CC4)c3)=NO2)c1
InChIInChI=1S/C24H22ClF3N2O2/c1-14-9-18(12-19(25)10-14)23(24(26,27)28)13-20(30-32-23)8-5-16-4-3-15(2)21(11-16)29-22(31)17-6-7-17/h3-5,8-12,17H,6-7,13H2,1-2H3,(H,29,31)/b8-5+
InChIKeyXTMCWEXQPMNYOU-VMPITWQZSA-N
MW462.90 g/mol
LogP6.55
Rot. Bonds5

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

N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 145161709) has the molecular formula C24H22ClF3N2O2 and a molecular weight of 462.90 g/mol. Its IUPAC name is N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID145161709
Molecular FormulaC24H22ClF3N2O2
Molecular Weight462.90 g/mol
Exact Mass462.13
IUPAC NameN-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Cl)cc(C2(C(F)(F)F)CC(/C=C/c3ccc(C)c(NC(=O)C4CC4)c3)=NO2)c1
InChIInChI=1S/C24H22ClF3N2O2/c1-14-9-18(12-19(25)10-14)23(24(26,27)28)13-20(30-32-23)8-5-16-4-3-15(2)21(11-16)29-22(31)17-6-7-17/h3-5,8-12,17H,6-7,13H2,1-2H3,(H,29,31)/b8-5+
InChIKeyXTMCWEXQPMNYOU-VMPITWQZSA-N
XLogP6.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.90
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(E)-2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]phenyl]cyclopropanecarboxamide
CID 122593392
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]formamide
CID 59355651
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]benzamide
CID 59355612
ethyl N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]carbamate
CID 59355650
2-methylpropyl N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]carbamate
CID 59355657
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-2-carboxamide
CID 59355597
N-[(2-chlorophenyl)-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methyl]cyclobutanecarboxamide
CID 86723375
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
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
5-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid
CID 87554096
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-iodo-6-methylbenzoic acid
CID 151846670
N'-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-N-(2,2,2-trifluoroethyl)butanediamide
CID 169227821

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide (CID 145161709) is N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide is Cc1cc(Cl)cc(C2(C(F)(F)F)CC(/C=C/c3ccc(C)c(NC(=O)C4CC4)c3)=NO2)c1.
What is the InChIKey of N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is XTMCWEXQPMNYOU-VMPITWQZSA-N. The full InChI is InChI=1S/C24H22ClF3N2O2/c1-14-9-18(12-19(25)10-14)23(24(26,27)28)13-20(30-32-23)8-5-16-4-3-15(2)21(11-16)29-22(31)17-6-7-17/h3-5,8-12,17H,6-7,13H2,1-2H3,(H,29,31)/b8-5+.
What are the key properties of N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide?
N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 462.90 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 145161709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).