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

C13H17N3O4 — CID 60887910

IUPAC[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCc1nnc(C)o1
InChIInChI=1S/C13H17N3O4/c1-8-15-16-12(20-8)7-19-13-10(17-2)4-9(6-14)5-11(13)18-3/h4-5H,6-7,14H2,1-3H3
InChIKeyNTLLZDBHPBFCOS-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.43
Rot. Bonds6

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

[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine (PubChem CID 60887910) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
PubChem CID60887910
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCc1nnc(C)o1
InChIInChI=1S/C13H17N3O4/c1-8-15-16-12(20-8)7-19-13-10(17-2)4-9(6-14)5-11(13)18-3/h4-5H,6-7,14H2,1-3H3
InChIKeyNTLLZDBHPBFCOS-UHFFFAOYSA-N
XLogP1.43
TPSA92.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 43622608
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60878921
1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 60908029
2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655539
2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 60905967
1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 60907255
[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60889820
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60880953
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
CID 104646966

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine (CID 60887910) is [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine is COc1cc(CN)cc(OC)c1OCc1nnc(C)o1.
What is the InChIKey of [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The InChIKey is NTLLZDBHPBFCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-15-16-12(20-8)7-19-13-10(17-2)4-9(6-14)5-11(13)18-3/h4-5H,6-7,14H2,1-3H3.
What are the key properties of [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine has a molecular weight of 279.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60887910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).