acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine

C11H13FN4O2 — CID 145151193

IUPACacetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(N)=O.NCc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C9H8FN3O.C2H5NO/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9;1-2(3)4/h1-4H,5,11H2;1H3,(H2,3,4)
InChIKeyKBYWCSXNLBZLSC-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.83
Rot. Bonds2

About acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine

acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 145151193) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Nameacetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID145151193
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Nameacetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(N)=O.NCc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C9H8FN3O.C2H5NO/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9;1-2(3)4/h1-4H,5,11H2;1H3,(H2,3,4)
InChIKeyKBYWCSXNLBZLSC-UHFFFAOYSA-N
XLogP0.83
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
1-[3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-methylurea
CID 117370015
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-difluorobenzoate
CID 46856583
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99865931
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756

Frequently Asked Questions

What is the IUPAC name of acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 145151193) is acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is CC(N)=O.NCc1nc(-c2cccc(F)c2)no1.
What is the InChIKey of acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KBYWCSXNLBZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O.C2H5NO/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9;1-2(3)4/h1-4H,5,11H2;1H3,(H2,3,4).
What are the key properties of acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 252.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 145151193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).