N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine

C17H17N3O2 — CID 56720297

IUPACN,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCN(C)Cc1noc(-c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H17N3O2/c1-20(2)12-16-18-17(22-19-16)13-7-6-10-15(11-13)21-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyGEGYHNONJJGFTJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.59
Rot. Bonds5

About N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine

N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 56720297) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID56720297
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCN(C)Cc1noc(-c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H17N3O2/c1-20(2)12-16-18-17(22-19-16)13-7-6-10-15(11-13)21-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyGEGYHNONJJGFTJ-UHFFFAOYSA-N
XLogP3.59
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79078243
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79078348
N-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133778
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 79078355
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
CID 14473619
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
CID 167970004
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
3-methyl-5-[3-(4-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 173164870

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 56720297) is N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine is CN(C)Cc1noc(-c2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is GEGYHNONJJGFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)12-16-18-17(22-19-16)13-7-6-10-15(11-13)21-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 295.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 56720297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).