N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine

C11H22N4O — CID 116806285

IUPACN,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(CCNC(C)C)n1
InChIInChI=1S/C11H22N4O/c1-5-15(6-2)11-13-10(16-14-11)7-8-12-9(3)4/h9,12H,5-8H2,1-4H3
InChIKeyGFQYSBXLHQMTJS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.46
Rot. Bonds7

About N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine (PubChem CID 116806285) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
PubChem CID116806285
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(CCNC(C)C)n1
InChIInChI=1S/C11H22N4O/c1-5-15(6-2)11-13-10(16-14-11)7-8-12-9(3)4/h9,12H,5-8H2,1-4H3
InChIKeyGFQYSBXLHQMTJS-UHFFFAOYSA-N
XLogP1.46
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methylpiperazin-2-YL)-1,2,4-oxadiazol-3-amine
CID 14742615
5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine hydrochloride
CID 146049926
5-(2-Aminoethyl)-1,2,4-oxadiazol-3-amine
CID 54595504
3-(acetylamino)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91833949
1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea
CID 99855173
1-Cyclopropyl-1-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 132378217
5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine
CID 164638654
N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61392874
N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 79954735
N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 82008560
1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106414199
3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106416479

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine (CID 116806285) is N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc(CCNC(C)C)n1.
What is the InChIKey of N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is GFQYSBXLHQMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-15(6-2)11-13-10(16-14-11)7-8-12-9(3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 226.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116806285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).