N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide

C22H23F2N5O4 — CID 42879793

IUPACN-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(-c2nc(CN3CCN(C(=O)Nc4ccc(F)c(F)c4)CC3)no2)c1
InChIInChI=1S/C22H23F2N5O4/c1-31-16-9-14(10-17(12-16)32-2)21-26-20(27-33-21)13-28-5-7-29(8-6-28)22(30)25-15-3-4-18(23)19(24)11-15/h3-4,9-12H,5-8,13H2,1-2H3,(H,25,30)
InChIKeyGGNLJIBMAUKTRW-UHFFFAOYSA-N
MW459.45 g/mol
LogP3.38
Rot. Bonds6

About N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide

N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 42879793) has the molecular formula C22H23F2N5O4 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide
PubChem CID42879793
Molecular FormulaC22H23F2N5O4
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC NameN-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(-c2nc(CN3CCN(C(=O)Nc4ccc(F)c(F)c4)CC3)no2)c1
InChIInChI=1S/C22H23F2N5O4/c1-31-16-9-14(10-17(12-16)32-2)21-26-20(27-33-21)13-28-5-7-29(8-6-28)22(30)25-15-3-4-18(23)19(24)11-15/h3-4,9-12H,5-8,13H2,1-2H3,(H,25,30)
InChIKeyGGNLJIBMAUKTRW-UHFFFAOYSA-N
XLogP3.38
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide
CID 42879818
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051
1-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42691863
N-(3-ethylphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide
CID 42692184
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
CID 72854229
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 72872766
methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10087118
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
(3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7347891
2-(4-methoxyphenyl)-1-[4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone
CID 42879730

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide (CID 42879793) is N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide is COc1cc(OC)cc(-c2nc(CN3CCN(C(=O)Nc4ccc(F)c(F)c4)CC3)no2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is GGNLJIBMAUKTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O4/c1-31-16-9-14(10-17(12-16)32-2)21-26-20(27-33-21)13-28-5-7-29(8-6-28)22(30)25-15-3-4-18(23)19(24)11-15/h3-4,9-12H,5-8,13H2,1-2H3,(H,25,30).
What are the key properties of N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide?
N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 42879793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).