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

C13H14N4O2 — CID 86790603

IUPAC5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1occc1-c1nnc(NCc2cccn2C)o1
InChIInChI=1S/C13H14N4O2/c1-9-11(5-7-18-9)12-15-16-13(19-12)14-8-10-4-3-6-17(10)2/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyHPSPGINGEHBGIE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.59
Rot. Bonds4

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

5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86790603) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86790603
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1occc1-c1nnc(NCc2cccn2C)o1
InChIInChI=1S/C13H14N4O2/c1-9-11(5-7-18-9)12-15-16-13(19-12)14-8-10-4-3-6-17(10)2/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyHPSPGINGEHBGIE-UHFFFAOYSA-N
XLogP2.59
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 86790603) is 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1occc1-c1nnc(NCc2cccn2C)o1.
What is the InChIKey of 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HPSPGINGEHBGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-11(5-7-18-9)12-15-16-13(19-12)14-8-10-4-3-6-17(10)2/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).