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

C13H18N4O2 — CID 106966531

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCCc2ccc(OC)cc2)o1
InChIInChI=1S/C13H18N4O2/c1-14-9-12-16-17-13(19-12)15-8-7-10-3-5-11(18-2)6-4-10/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyWOAWSPNPFQHANW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.45
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966531) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106966531
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCCc2ccc(OC)cc2)o1
InChIInChI=1S/C13H18N4O2/c1-14-9-12-16-17-13(19-12)15-8-7-10-3-5-11(18-2)6-4-10/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyWOAWSPNPFQHANW-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969561
N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 110456073
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
CID 137335657
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677310
5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969559
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106967245
N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138306
N-[(5-chlorothiophen-2-yl)methyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962307
4-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol
CID 106956869

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106966531) is N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NCCc2ccc(OC)cc2)o1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WOAWSPNPFQHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-9-12-16-17-13(19-12)15-8-7-10-3-5-11(18-2)6-4-10/h3-6,14H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).