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

C14H16N4O2 — CID 86790723

IUPAC5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(NCc3cccn3C)o2)c(C)o1
InChIInChI=1S/C14H16N4O2/c1-9-7-12(10(2)19-9)13-16-17-14(20-13)15-8-11-5-4-6-18(11)3/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyWXQXJJRWRVEEQK-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.90
Rot. Bonds4

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

5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86790723) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86790723
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(NCc3cccn3C)o2)c(C)o1
InChIInChI=1S/C14H16N4O2/c1-9-7-12(10(2)19-9)13-16-17-14(20-13)15-8-11-5-4-6-18(11)3/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyWXQXJJRWRVEEQK-UHFFFAOYSA-N
XLogP2.90
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 86790723) is 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cc(-c2nnc(NCc3cccn3C)o2)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WXQXJJRWRVEEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-7-12(10(2)19-9)13-16-17-14(20-13)15-8-11-5-4-6-18(11)3/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 272.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).