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

C11H15N3O2 — CID 104788975

IUPACN-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(-c2ccoc2C)no1
InChIInChI=1S/C11H15N3O2/c1-7-8(5-6-15-7)9-13-10(16-14-9)11(2,3)12-4/h5-6,12H,1-4H3
InChIKeyCGBRGKSZEDUJHV-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.09
Rot. Bonds3

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

N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 104788975) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID104788975
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(-c2ccoc2C)no1
InChIInChI=1S/C11H15N3O2/c1-7-8(5-6-15-7)9-13-10(16-14-9)11(2,3)12-4/h5-6,12H,1-4H3
InChIKeyCGBRGKSZEDUJHV-UHFFFAOYSA-N
XLogP2.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62818341
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788968
3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 104788733
3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 104790794
3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921186
5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788713
3,3-dimethyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 113453470
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62817975
N-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 104788961
N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788840
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 104788996

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 104788975) is N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(C)(C)c1nc(-c2ccoc2C)no1.
What is the InChIKey of N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is CGBRGKSZEDUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-8(5-6-15-7)9-13-10(16-14-9)11(2,3)12-4/h5-6,12H,1-4H3.
What are the key properties of N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 221.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 104788975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).