N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide

C26H19ClF3N5O3 — CID 178047400

IUPACN-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide
SMILESCc1nn(-c2ccc(C3=NC(c4cccc(Cl)c4)(C(F)(F)F)ON3)cc2)cc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C26H19ClF3N5O3/c1-15-22(31-24(37)17-7-11-21(36)12-8-17)14-35(33-15)20-9-5-16(6-10-20)23-32-25(38-34-23,26(28,29)30)18-3-2-4-19(27)13-18/h2-14,36H,1H3,(H,31,37)(H,32,34)
InChIKeyLTIQJTSKVFGGOK-UHFFFAOYSA-N
MW541.92 g/mol
LogP5.49
Rot. Bonds5

About N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide

N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide (PubChem CID 178047400) has the molecular formula C26H19ClF3N5O3 and a molecular weight of 541.92 g/mol. Its IUPAC name is N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide
PubChem CID178047400
Molecular FormulaC26H19ClF3N5O3
Molecular Weight541.92 g/mol
Exact Mass541.11
IUPAC NameN-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide
SMILESCc1nn(-c2ccc(C3=NC(c4cccc(Cl)c4)(C(F)(F)F)ON3)cc2)cc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C26H19ClF3N5O3/c1-15-22(31-24(37)17-7-11-21(36)12-8-17)14-35(33-15)20-9-5-16(6-10-20)23-32-25(38-34-23,26(28,29)30)18-3-2-4-19(27)13-18/h2-14,36H,1H3,(H,31,37)(H,32,34)
InChIKeyLTIQJTSKVFGGOK-UHFFFAOYSA-N
XLogP5.49
TPSA100.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.92
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[5-(3-chlorophenyl)-4-cyclopropyl-5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 178047363
4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 146096937
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780768
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]benzamide
CID 59355612
2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 154837597
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44763083
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55670188
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582
N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 50780812
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide?
The IUPAC name of N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide (CID 178047400) is N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide is Cc1nn(-c2ccc(C3=NC(c4cccc(Cl)c4)(C(F)(F)F)ON3)cc2)cc1NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide?
The InChIKey is LTIQJTSKVFGGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N5O3/c1-15-22(31-24(37)17-7-11-21(36)12-8-17)14-35(33-15)20-9-5-16(6-10-20)23-32-25(38-34-23,26(28,29)30)18-3-2-4-19(27)13-18/h2-14,36H,1H3,(H,31,37)(H,32,34).
What are the key properties of N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide?
N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide has a molecular weight of 541.92 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[5-(3-chlorophenyl)-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]-3-methylpyrazol-4-yl]-4-hydroxybenzamide is sourced from PubChem (CID 178047400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).