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

C14H19N3O3 — CID 82000350

IUPAC1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1nnc(C)o1
InChIInChI=1S/C14H19N3O3/c1-9(15-3)12-6-5-11(18-4)7-13(12)19-8-14-17-16-10(2)20-14/h5-7,9,15H,8H2,1-4H3
InChIKeyPLLSAEFQWCVEPM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.25
Rot. Bonds6

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

1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 82000350) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID82000350
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1nnc(C)o1
InChIInChI=1S/C14H19N3O3/c1-9(15-3)12-6-5-11(18-4)7-13(12)19-8-14-17-16-10(2)20-14/h5-7,9,15H,8H2,1-4H3
InChIKeyPLLSAEFQWCVEPM-UHFFFAOYSA-N
XLogP2.25
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.25
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-methylmethanamine
CID 61269447
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 102948491
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60880953
N-ethyl-1-[4-methoxy-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 82000944
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine (CID 82000350) is 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OC)cc1OCc1nnc(C)o1.
What is the InChIKey of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is PLLSAEFQWCVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(15-3)12-6-5-11(18-4)7-13(12)19-8-14-17-16-10(2)20-14/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine?
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 277.32 g/mol, XLogP of 2.25, 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-methylethanamine is sourced from PubChem (CID 82000350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).