5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C9H7F2N3O — CID 50998846

IUPAC5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C9H7F2N3O/c10-6-1-5(2-7(11)4-6)3-8-13-14-9(12)15-8/h1-2,4H,3H2,(H2,12,14)
InChIKeyRWMWNQXLNITZPU-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.52
Rot. Bonds2

About 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 50998846) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID50998846
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C9H7F2N3O/c10-6-1-5(2-7(11)4-6)3-8-13-14-9(12)15-8/h1-2,4H,3H2,(H2,12,14)
InChIKeyRWMWNQXLNITZPU-UHFFFAOYSA-N
XLogP1.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Benzyl-1,3,4-oxadiazol-2-amine
CID 2756634
5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 21919319
1,3,4-Oxadiazole, 2-amino-5-(diphenylmethyl)-
CID 201252
5-[(4-Chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 356890
5-(4-Bromobenzyl)-1,3,4-oxadiazol-2-amine
CID 356896
5-(1,2-Diphenylethyl)-1,3,4-oxadiazol-2(3H)-imine
CID 3061059
5-(2-Phenylethyl)-1,3,4-oxadiazol-2-amine
CID 14199524
5-[(2-Chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 18070416
2-Benzyl-5-bromo-1,3,4-oxadiazole
CID 82292416
N-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 16917491
N-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)cyclopentanecarboxamide
CID 30578872
2-Benzyl-5-methyl-1,3,4-oxadiazole
CID 13004919

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 50998846) is 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(Cc2cc(F)cc(F)c2)o1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RWMWNQXLNITZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-6-1-5(2-7(11)4-6)3-8-13-14-9(12)15-8/h1-2,4H,3H2,(H2,12,14).
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 211.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 50998846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).