N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine

C15H15N3O2 — CID 60888286

IUPACN-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine
SMILESCNCc1c(OCc2ncon2)ccc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-16-8-13-12-5-3-2-4-11(12)6-7-14(13)19-9-15-17-10-20-18-15/h2-7,10,16H,8-9H2,1H3
InChIKeyKAEXPXSOBXVFGA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine

N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine (PubChem CID 60888286) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine
PubChem CID60888286
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine
SMILESCNCc1c(OCc2ncon2)ccc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-16-8-13-12-5-3-2-4-11(12)6-7-14(13)19-9-15-17-10-20-18-15/h2-7,10,16H,8-9H2,1H3
InChIKeyKAEXPXSOBXVFGA-UHFFFAOYSA-N
XLogP2.52
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
CID 61481605
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
methyl 4-[1-(methylaminomethyl)naphthalen-2-yl]oxybutanoate
CID 60888670
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60879008
N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79151066
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606
2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol
CID 60889614
N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine
CID 60889619

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine (CID 60888286) is N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine is CNCc1c(OCc2ncon2)ccc2ccccc12.
What is the InChIKey of N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine?
The InChIKey is KAEXPXSOBXVFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-8-13-12-5-3-2-4-11(12)6-7-14(13)19-9-15-17-10-20-18-15/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine?
N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine has a molecular weight of 269.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine is sourced from PubChem (CID 60888286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).