4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C23H26F3N5O2 — CID 174356930

IUPAC4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(C3=NNC(C)(C(F)(F)F)O3)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H26F3N5O2/c1-22(23(24,25)26)28-27-20(33-22)18-10-8-17(9-11-18)16-31(19-6-4-3-5-7-19)21(32)30-14-12-29(2)13-15-30/h3-11,28H,12-16H2,1-2H3
InChIKeyJJIYZSWYGNFJJM-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.62
Rot. Bonds4

About 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 174356930) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID174356930
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC Name4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(C3=NNC(C)(C(F)(F)F)O3)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H26F3N5O2/c1-22(23(24,25)26)28-27-20(33-22)18-10-8-17(9-11-18)16-31(19-6-4-3-5-7-19)21(32)30-14-12-29(2)13-15-30/h3-11,28H,12-16H2,1-2H3
InChIKeyJJIYZSWYGNFJJM-UHFFFAOYSA-N
XLogP3.62
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 174356930) is 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)N(Cc2ccc(C3=NNC(C)(C(F)(F)F)O3)cc2)c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is JJIYZSWYGNFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-22(23(24,25)26)28-27-20(33-22)18-10-8-17(9-11-18)16-31(19-6-4-3-5-7-19)21(32)30-14-12-29(2)13-15-30/h3-11,28H,12-16H2,1-2H3.
What are the key properties of 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 174356930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).