5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine

C13H17N3O2 — CID 84596958

IUPAC5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2cccc(C)c2)o1
InChIInChI=1S/C13H17N3O2/c1-3-17-9-12-15-16-13(18-12)14-8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyWMSCMFOYJMFFQY-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.53
Rot. Bonds6

About 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 84596958) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID84596958
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2cccc(C)c2)o1
InChIInChI=1S/C13H17N3O2/c1-3-17-9-12-15-16-13(18-12)14-8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyWMSCMFOYJMFFQY-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596433
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
N-benzyl-5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954310
N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
CID 99820538
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 141195043
N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 75498255
N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75498284
5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 86782605
N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
CID 99820539
5-[(2S)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 99820635
5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 99820636
5-(aminomethyl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963343

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 84596958) is 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is CCOCc1nnc(NCc2cccc(C)c2)o1.
What is the InChIKey of 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WMSCMFOYJMFFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-17-9-12-15-16-13(18-12)14-8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84596958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).