5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine

C13H18N4O2 — CID 106971403

IUPAC5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2cccc(COC)c2)o1
InChIInChI=1S/C13H18N4O2/c1-3-14-8-12-16-17-13(19-12)15-11-6-4-5-10(7-11)9-18-2/h4-7,14H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyALLMIPURJHVDDC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.07
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106971403) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID106971403
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2cccc(COC)c2)o1
InChIInChI=1S/C13H18N4O2/c1-3-14-8-12-16-17-13(19-12)15-11-6-4-5-10(7-11)9-18-2/h4-7,14H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyALLMIPURJHVDDC-UHFFFAOYSA-N
XLogP2.07
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968324
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966611
N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966341
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106969433
N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107581548
N-(3,4-dimethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967269
N-(4-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968230
N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968069
N-(3-bromo-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961468
N-(4-fluoro-3-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960566

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 106971403) is 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine is CCNCc1nnc(Nc2cccc(COC)c2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ALLMIPURJHVDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-14-8-12-16-17-13(19-12)15-11-6-4-5-10(7-11)9-18-2/h4-7,14H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).