N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C12H15N3O3 — CID 104788882

IUPACN-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(-c2ccoc2C)no1
InChIInChI=1S/C12H15N3O3/c1-7-8(3-4-17-7)11-14-12(18-15-11)9-5-16-6-10(9)13-2/h3-4,9-10,13H,5-6H2,1-2H3
InChIKeyJUEKCOLZEMMGMT-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.34
Rot. Bonds3

About N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 104788882) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID104788882
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(-c2ccoc2C)no1
InChIInChI=1S/C12H15N3O3/c1-7-8(3-4-17-7)11-14-12(18-15-11)9-5-16-6-10(9)13-2/h3-4,9-10,13H,5-6H2,1-2H3
InChIKeyJUEKCOLZEMMGMT-UHFFFAOYSA-N
XLogP1.34
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 66238041
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 81273066
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526792
4-[5-[4-(methylamino)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888894
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 104790960
N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238055
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474380
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253070
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
N-methyl-4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66264900
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 104788754

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 104788882) is N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CNC1COCC1c1nc(-c2ccoc2C)no1.
What is the InChIKey of N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is JUEKCOLZEMMGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-8(3-4-17-7)11-14-12(18-15-11)9-5-16-6-10(9)13-2/h3-4,9-10,13H,5-6H2,1-2H3.
What are the key properties of N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 249.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 104788882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).