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

C12H13N5O3 — CID 136516263

IUPAC5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CCc2nc(-c3ccoc3)no2)n1
InChIInChI=1S/C12H13N5O3/c1-17(2)12-14-10(20-16-12)4-3-9-13-11(15-19-9)8-5-6-18-7-8/h5-7H,3-4H2,1-2H3
InChIKeyDGXVQXRHEJIJBG-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.56
Rot. Bonds5

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

5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 136516263) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID136516263
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CCc2nc(-c3ccoc3)no2)n1
InChIInChI=1S/C12H13N5O3/c1-17(2)12-14-10(20-16-12)4-3-9-13-11(15-19-9)8-5-6-18-7-8/h5-7H,3-4H2,1-2H3
InChIKeyDGXVQXRHEJIJBG-UHFFFAOYSA-N
XLogP1.56
TPSA94.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863124
1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863123
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 124589224
3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 154834426
2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119225155
3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 75426291
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 75481048
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111113510
4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106525160
N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120652436

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 136516263) is 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CCc2nc(-c3ccoc3)no2)n1.
What is the InChIKey of 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DGXVQXRHEJIJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-17(2)12-14-10(20-16-12)4-3-9-13-11(15-19-9)8-5-6-18-7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 275.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 136516263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).