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

C13H17N3O2 — CID 60977325

IUPAC1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCOCc1ccc(CNCc2nc(C)no2)cc1
InChIInChI=1S/C13H17N3O2/c1-10-15-13(18-16-10)8-14-7-11-3-5-12(6-4-11)9-17-2/h3-6,14H,7-9H2,1-2H3
InChIKeyUJALVLVEXYNPIJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.81
Rot. Bonds6

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

1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 60977325) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID60977325
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCOCc1ccc(CNCc2nc(C)no2)cc1
InChIInChI=1S/C13H17N3O2/c1-10-15-13(18-16-10)8-14-7-11-3-5-12(6-4-11)9-17-2/h3-6,14H,7-9H2,1-2H3
InChIKeyUJALVLVEXYNPIJ-UHFFFAOYSA-N
XLogP1.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzene-1,2-diol
CID 54903566
1-(4-imidazol-1-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61015233
1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]methanol
CID 106416528
N-[(4-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648024
1-(2-methoxy-5-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903130
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 82594465
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61014211
2-(4-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106416674

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 60977325) is 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is COCc1ccc(CNCc2nc(C)no2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is UJALVLVEXYNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-15-13(18-16-10)8-14-7-11-3-5-12(6-4-11)9-17-2/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 60977325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).