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

C12H14FN3O2 — CID 62596316

IUPAC3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C12H14FN3O2/c1-17-7-6-14-12-15-11(16-18-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15,16)
InChIKeyFZJKBMAFHLBXFI-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.86
Rot. Bonds6

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

3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62596316) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62596316
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C12H14FN3O2/c1-17-7-6-14-12-15-11(16-18-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15,16)
InChIKeyFZJKBMAFHLBXFI-UHFFFAOYSA-N
XLogP1.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-Fluorophenyl)-N-[(oxolan-2-YL)methyl]-1,2,4-oxadiazol-5-amine
CID 45106960
1-(4-Fluorobenzyl)-3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)urea
CID 49723426
3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine
CID 50905562
N-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592349
N-[(2,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103865694
N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 118740643
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide
CID 3639803
3-((4-Fluorophenyl)methyl)-1,2,4-oxadiazol-5-amine
CID 2795651
((3-((2-Fluorophenyl)methyl)-1,2,4-oxadiazol-5-yl)methyl)(methyl)amine hydrochloride
CID 165953931
1-((3-Methyl-1,2,4-oxadiazol-5-yl)methyl)-3-(3-phenylpropyl)urea
CID 49722534
2-amino-N-((3-benzyl-1,2,4-oxadiazol-5-yl)methyl)acetamide hydrochloride
CID 71829637
3-{2-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-YL]ethyl}-1-(2-phenylethyl)urea
CID 91907311

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 62596316) is 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(Cc2ccccc2F)no1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FZJKBMAFHLBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-17-7-6-14-12-15-11(16-18-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15,16).
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 251.26 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62596316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).