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

C13H13N3O2 — CID 55039542

IUPACN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2cc3cc(C)ccc3o2)o1
InChIInChI=1S/C13H13N3O2/c1-8-3-4-10-9(5-8)6-11(17-10)13-16-15-12(18-13)7-14-2/h3-6,14H,7H2,1-2H3
InChIKeyMMKRLJDZALTERI-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.51
Rot. Bonds3

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

N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 55039542) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID55039542
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2cc3cc(C)ccc3o2)o1
InChIInChI=1S/C13H13N3O2/c1-8-3-4-10-9(5-8)6-11(17-10)13-16-15-12(18-13)7-14-2/h3-6,14H,7H2,1-2H3
InChIKeyMMKRLJDZALTERI-UHFFFAOYSA-N
XLogP2.51
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 114732239
N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343088
N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163596
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
CID 112755713
N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138314
1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106689586
5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009697
1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732268
[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 55012566
N-methyl-1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137188
4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62138664

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 55039542) is N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(-c2cc3cc(C)ccc3o2)o1.
What is the InChIKey of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is MMKRLJDZALTERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-3-4-10-9(5-8)6-11(17-10)13-16-15-12(18-13)7-14-2/h3-6,14H,7H2,1-2H3.
What are the key properties of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 243.27 g/mol, XLogP of 2.51, 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-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 55039542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).