5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C17H23FN4O2 — CID 100703946

IUPAC5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCOc1cccc(C2CCN(Cc3nc(N(C)C)no3)CC2)c1F
InChIInChI=1S/C17H23FN4O2/c1-21(2)17-19-15(24-20-17)11-22-9-7-12(8-10-22)13-5-4-6-14(23-3)16(13)18/h4-6,12H,7-11H2,1-3H3
InChIKeyNXSWYNUDUOQCDS-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.66
Rot. Bonds5

About 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 100703946) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID100703946
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCOc1cccc(C2CCN(Cc3nc(N(C)C)no3)CC2)c1F
InChIInChI=1S/C17H23FN4O2/c1-21(2)17-19-15(24-20-17)11-22-9-7-12(8-10-22)13-5-4-6-14(23-3)16(13)18/h4-6,12H,7-11H2,1-3H3
InChIKeyNXSWYNUDUOQCDS-UHFFFAOYSA-N
XLogP2.66
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124624885
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124874749
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
5-[[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 28737717
3-(2-methoxyphenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728604
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 78845832
2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-8-methoxyquinoline
CID 56916123
2-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-8-methoxyquinoline
CID 95897130
5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 33020173

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 100703946) is 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is COc1cccc(C2CCN(Cc3nc(N(C)C)no3)CC2)c1F.
What is the InChIKey of 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is NXSWYNUDUOQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-21(2)17-19-15(24-20-17)11-22-9-7-12(8-10-22)13-5-4-6-14(23-3)16(13)18/h4-6,12H,7-11H2,1-3H3.
What are the key properties of 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 334.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 100703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).