N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine

C13H18N4O — CID 133483793

IUPACN,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1noc(-c2ccccc2)n1
InChIInChI=1S/C13H18N4O/c1-16(2)9-10-17(3)13-14-12(18-15-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyKAMTWEFYKYGJSM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds5

About N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine (PubChem CID 133483793) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
PubChem CID133483793
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1noc(-c2ccccc2)n1
InChIInChI=1S/C13H18N4O/c1-16(2)9-10-17(3)13-14-12(18-15-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyKAMTWEFYKYGJSM-UHFFFAOYSA-N
XLogP1.73
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481473
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 154801224
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481744
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
N,N-dimethyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 20566334
N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide
CID 12872491
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116808303
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
N,N-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
CID 3046126

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine (CID 133483793) is N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine is CN(C)CCN(C)c1noc(-c2ccccc2)n1.
What is the InChIKey of N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
The InChIKey is KAMTWEFYKYGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16(2)9-10-17(3)13-14-12(18-15-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 133483793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).