1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

C25H32N4O2 — CID 70836752

IUPAC1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOCc1cc(-c2nc(-c3cccc(CN(C)C)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C25H32N4O2/c1-18-8-5-6-13-29(18)23-12-11-21(15-22(23)17-30-4)25-26-24(27-31-25)20-10-7-9-19(14-20)16-28(2)3/h7,9-12,14-15,18H,5-6,8,13,16-17H2,1-4H3
InChIKeyBJYGHUHJSBEICR-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.99
Rot. Bonds7

About 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 70836752) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID70836752
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOCc1cc(-c2nc(-c3cccc(CN(C)C)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C25H32N4O2/c1-18-8-5-6-13-29(18)23-12-11-21(15-22(23)17-30-4)25-26-24(27-31-25)20-10-7-9-19(14-20)16-28(2)3/h7,9-12,14-15,18H,5-6,8,13,16-17H2,1-4H3
InChIKeyBJYGHUHJSBEICR-UHFFFAOYSA-N
XLogP4.99
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 76685326
tert-butyl 3-[[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methoxy]propanoate
CID 66678478
2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 174613823
3-(4-deuterio-3-methylphenyl)-5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole;3-(4-deuterio-3-methylphenyl)-5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole
CID 158125323
tert-butyl 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetate
CID 91114213
2-[[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclohexa-2,4-dien-1-yl]methoxy]acetic acid
CID 70843324
2-[[3-[5-[3-(methoxymethyl)-4-phenylphenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]acetic acid
CID 58066357
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile
CID 175265204
3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole
CID 58443332
tert-butyl 2-[[3-[5-[3-(methoxymethyl)-4-methylphenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]acetate
CID 143784205
3-(1-methylindol-5-yl)-5-[4-[(2R)-2-methylpiperidin-1-yl]-3-nitrophenyl]-1,2,4-oxadiazole
CID 124567731
N-[[3-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine
CID 66678507

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 70836752) is 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is COCc1cc(-c2nc(-c3cccc(CN(C)C)c3)no2)ccc1N1CCCCC1C.
What is the InChIKey of 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is BJYGHUHJSBEICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-8-5-6-13-29(18)23-12-11-21(15-22(23)17-30-4)25-26-24(27-31-25)20-10-7-9-19(14-20)16-28(2)3/h7,9-12,14-15,18H,5-6,8,13,16-17H2,1-4H3.
What are the key properties of 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 420.56 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70836752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).