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

C15H14FN3O2 — CID 75498288

IUPAC5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccoc1CNc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H14FN3O2/c1-10-6-7-20-13(10)9-17-15-19-18-14(21-15)8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyOTTHGRKGVGNEHF-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.31
Rot. Bonds5

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

5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 75498288) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID75498288
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccoc1CNc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H14FN3O2/c1-10-6-7-20-13(10)9-17-15-19-18-14(21-15)8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyOTTHGRKGVGNEHF-UHFFFAOYSA-N
XLogP3.31
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 75498288) is 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccoc1CNc1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OTTHGRKGVGNEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-10-6-7-20-13(10)9-17-15-19-18-14(21-15)8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 287.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).