5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine

C17H16FN3O2 — CID 126772325

IUPAC5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(F)ccc1-c1ccc(CNc2nnc(C3CC3)o2)o1
InChIInChI=1S/C17H16FN3O2/c1-10-8-12(18)4-6-14(10)15-7-5-13(22-15)9-19-17-21-20-16(23-17)11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,19,21)
InChIKeyBJAXOCJVGWJFLB-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.27
Rot. Bonds5

About 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 126772325) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID126772325
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(F)ccc1-c1ccc(CNc2nnc(C3CC3)o2)o1
InChIInChI=1S/C17H16FN3O2/c1-10-8-12(18)4-6-14(10)15-7-5-13(22-15)9-19-17-21-20-16(23-17)11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,19,21)
InChIKeyBJAXOCJVGWJFLB-UHFFFAOYSA-N
XLogP4.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 126772325) is 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine is Cc1cc(F)ccc1-c1ccc(CNc2nnc(C3CC3)o2)o1.
What is the InChIKey of 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BJAXOCJVGWJFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10-8-12(18)4-6-14(10)15-7-5-13(22-15)9-19-17-21-20-16(23-17)11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,19,21).
What are the key properties of 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 313.33 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126772325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).