furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine

C8H9N3O2 — CID 55269817

IUPACfuran-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(C(N)c2ccco2)o1
InChIInChI=1S/C8H9N3O2/c1-5-10-11-8(13-5)7(9)6-3-2-4-12-6/h2-4,7H,9H2,1H3
InChIKeyAJRMHORRSNERIN-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.02
Rot. Bonds2

About furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine

furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 55269817) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Namefuran-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID55269817
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Namefuran-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(C(N)c2ccco2)o1
InChIInChI=1S/C8H9N3O2/c1-5-10-11-8(13-5)7(9)6-3-2-4-12-6/h2-4,7H,9H2,1H3
InChIKeyAJRMHORRSNERIN-UHFFFAOYSA-N
XLogP1.02
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine
CID 127016563
(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
CID 130495135
furan-2-yl(pyrimidin-2-yl)methanamine
CID 63949375
(1S)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914769
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770
(S)-furan-2-yl(pyridin-3-yl)methanamine
CID 51441630
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole
CID 156526327
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037
(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (CID 55269817) is furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is Cc1nnc(C(N)c2ccco2)o1.
What is the InChIKey of furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is AJRMHORRSNERIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-5-10-11-8(13-5)7(9)6-3-2-4-12-6/h2-4,7H,9H2,1H3.
What are the key properties of furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 179.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 55269817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).