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

C13H18N4O — CID 116799675

IUPACN,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine
SMILESCNCCc1ccccc1-c1nc(N(C)C)no1
InChIInChI=1S/C13H18N4O/c1-14-9-8-10-6-4-5-7-11(10)12-15-13(16-18-12)17(2)3/h4-7,14H,8-9H2,1-3H3
InChIKeyOUHKHMNFIDBYRU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.56
Rot. Bonds5

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

N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine (PubChem CID 116799675) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine
PubChem CID116799675
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine
SMILESCNCCc1ccccc1-c1nc(N(C)C)no1
InChIInChI=1S/C13H18N4O/c1-14-9-8-10-6-4-5-7-11(10)12-15-13(16-18-12)17(2)3/h4-7,14H,8-9H2,1-3H3
InChIKeyOUHKHMNFIDBYRU-UHFFFAOYSA-N
XLogP1.56
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 136984550
5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747800
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylethanamine
CID 116701673
N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104548430
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 115345494
2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine
CID 91540232
N-methyl-3-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079341
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine (CID 116799675) is N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine is CNCCc1ccccc1-c1nc(N(C)C)no1.
What is the InChIKey of N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is OUHKHMNFIDBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-14-9-8-10-6-4-5-7-11(10)12-15-13(16-18-12)17(2)3/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).