1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C8H8ClN3O2 — CID 106689586

IUPAC1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccc(Cl)o2)o1
InChIInChI=1S/C8H8ClN3O2/c1-10-4-7-11-12-8(14-7)5-2-3-6(9)13-5/h2-3,10H,4H2,1H3
InChIKeyJEUQWPFGPPSWAX-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.70
Rot. Bonds3

About 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 106689586) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID106689586
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccc(Cl)o2)o1
InChIInChI=1S/C8H8ClN3O2/c1-10-4-7-11-12-8(14-7)5-2-3-6(9)13-5/h2-3,10H,4H2,1H3
InChIKeyJEUQWPFGPPSWAX-UHFFFAOYSA-N
XLogP1.70
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 106689598
4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62138664
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 80641183
N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 103211960
1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62137362
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
N-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62139571
N-methyl-1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137188
1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 106690764
N-[[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 79084042
N-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137768

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 106689586) is 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2ccc(Cl)o2)o1.
What is the InChIKey of 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is JEUQWPFGPPSWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-10-4-7-11-12-8(14-7)5-2-3-6(9)13-5/h2-3,10H,4H2,1H3.
What are the key properties of 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 213.62 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106689586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).