N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C14H20N4O2 — CID 106970855

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)Cc2ccccc2OC)o1
InChIInChI=1S/C14H20N4O2/c1-10(15-2)13-16-17-14(20-13)18(3)9-11-7-5-6-8-12(11)19-4/h5-8,10,15H,9H2,1-4H3
InChIKeyJBBSNXGDAULIGQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.00
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970855) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970855
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)Cc2ccccc2OC)o1
InChIInChI=1S/C14H20N4O2/c1-10(15-2)13-16-17-14(20-13)18(3)9-11-7-5-6-8-12(11)19-4/h5-8,10,15H,9H2,1-4H3
InChIKeyJBBSNXGDAULIGQ-UHFFFAOYSA-N
XLogP2.00
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850
N-methyl-5-[1-(methylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969340
N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960112
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970851
N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970473
4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
CID 106965470
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970129
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106970855) is N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(N(C)Cc2ccccc2OC)o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JBBSNXGDAULIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(15-2)13-16-17-14(20-13)18(3)9-11-7-5-6-8-12(11)19-4/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).