N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide

C23H24F3N5O3 — CID 31340973

IUPACN-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C23H24F3N5O3/c1-33-19-8-3-2-7-18(19)27-21(32)14-20-28-22(34-29-20)15-30-9-11-31(12-10-30)17-6-4-5-16(13-17)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3,(H,27,32)
InChIKeyZQTCNMQKMKOWIP-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.60
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide

N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 31340973) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID31340973
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC NameN-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C23H24F3N5O3/c1-33-19-8-3-2-7-18(19)27-21(32)14-20-28-22(34-29-20)15-30-9-11-31(12-10-30)17-6-4-5-16(13-17)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3,(H,27,32)
InChIKeyZQTCNMQKMKOWIP-UHFFFAOYSA-N
XLogP3.60
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 30008699
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46689292
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 17431109
N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 51924806
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32655601
N-(2-morpholin-4-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3717651
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578280

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 31340973) is N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide is COc1ccccc1NC(=O)Cc1noc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is ZQTCNMQKMKOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-33-19-8-3-2-7-18(19)27-21(32)14-20-28-22(34-29-20)15-30-9-11-31(12-10-30)17-6-4-5-16(13-17)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3,(H,27,32).
What are the key properties of N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 475.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 31340973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).