N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide

C18H18N4O3 — CID 75385057

IUPACN-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C18H18N4O3/c1-19-17(23)11-24-16-8-3-2-5-14(16)10-20-15-7-4-6-13(9-15)18-22-21-12-25-18/h2-9,12,20H,10-11H2,1H3,(H,19,23)
InChIKeyDKDHRGALBQFZFM-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.47
Rot. Bonds7

About N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide

N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide (PubChem CID 75385057) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide
PubChem CID75385057
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C18H18N4O3/c1-19-17(23)11-24-16-8-3-2-5-14(16)10-20-15-7-4-6-13(9-15)18-22-21-12-25-18/h2-9,12,20H,10-11H2,1H3,(H,19,23)
InChIKeyDKDHRGALBQFZFM-UHFFFAOYSA-N
XLogP2.47
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
N-(2,2-dimethoxyethyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63685700
2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
CID 81413545
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide (CID 75385057) is N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide is CNC(=O)COc1ccccc1CNc1cccc(-c2nnco2)c1.
What is the InChIKey of N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide?
The InChIKey is DKDHRGALBQFZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-19-17(23)11-24-16-8-3-2-5-14(16)10-20-15-7-4-6-13(9-15)18-22-21-12-25-18/h2-9,12,20H,10-11H2,1H3,(H,19,23).
What are the key properties of N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide?
N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide is sourced from PubChem (CID 75385057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).