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

C9H11N3O2 — CID 62139571

IUPACN-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C9H11N3O2/c1-6-7(3-4-13-6)9-12-11-8(14-9)5-10-2/h3-4,10H,5H2,1-2H3
InChIKeyPMTQYMSFEJPRKY-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.36
Rot. Bonds3

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

N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62139571) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62139571
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C9H11N3O2/c1-6-7(3-4-13-6)9-12-11-8(14-9)5-10-2/h3-4,10H,5H2,1-2H3
InChIKeyPMTQYMSFEJPRKY-UHFFFAOYSA-N
XLogP1.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62139571) is N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(-c2ccoc2C)o1.
What is the InChIKey of N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is PMTQYMSFEJPRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-7(3-4-13-6)9-12-11-8(14-9)5-10-2/h3-4,10H,5H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 193.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62139571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).