1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine

C13H17N3O3 — CID 61269447

IUPAC1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCc1nnc(C)o1
InChIInChI=1S/C13H17N3O3/c1-9-15-16-13(19-9)8-18-12-6-11(17-3)5-4-10(12)7-14-2/h4-6,14H,7-8H2,1-3H3
InChIKeyVVYIPBJHFMQOES-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.69
Rot. Bonds6

About 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61269447) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61269447
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCc1nnc(C)o1
InChIInChI=1S/C13H17N3O3/c1-9-15-16-13(19-9)8-18-12-6-11(17-3)5-4-10(12)7-14-2/h4-6,14H,7-8H2,1-3H3
InChIKeyVVYIPBJHFMQOES-UHFFFAOYSA-N
XLogP1.69
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 82000350
1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60883695
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 61497343
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine
CID 60887454
2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60878921
2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
CID 61268341
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655539
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 62736957

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 61269447) is 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OC)cc1OCc1nnc(C)o1.
What is the InChIKey of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is VVYIPBJHFMQOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-15-16-13(19-9)8-18-12-6-11(17-3)5-4-10(12)7-14-2/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 263.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61269447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).