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

C13H18N4O2 — CID 106970473

IUPACN-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)c2cccc(OC)c2)o1
InChIInChI=1S/C13H18N4O2/c1-9(14-2)12-15-16-13(19-12)17(3)10-6-5-7-11(8-10)18-4/h5-9,14H,1-4H3
InChIKeyUXQAWCZUNAFOSH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.13
Rot. Bonds5

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

N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970473) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970473
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)c2cccc(OC)c2)o1
InChIInChI=1S/C13H18N4O2/c1-9(14-2)12-15-16-13(19-12)17(3)10-6-5-7-11(8-10)18-4/h5-9,14H,1-4H3
InChIKeyUXQAWCZUNAFOSH-UHFFFAOYSA-N
XLogP2.13
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(ethylamino)ethyl]-N-(3-methoxyphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970478
5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971235
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
N-methyl-5-[1-(methylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969340
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62229658
3-methoxy-N,N-disilylaniline
CID 149149494
2-N-(3-methoxyphenyl)-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 80796248
6-(1-aminoethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 83123026
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106970473) is N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(N(C)c2cccc(OC)c2)o1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UXQAWCZUNAFOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(14-2)12-15-16-13(19-12)17(3)10-6-5-7-11(8-10)18-4/h5-9,14H,1-4H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).