1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one

C10H7F2N3O2 — CID 55203346

IUPAC1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESO=C(Cc1nc(-c2cccnc2)no1)C(F)F
InChIInChI=1S/C10H7F2N3O2/c11-9(12)7(16)4-8-14-10(15-17-8)6-2-1-3-13-5-6/h1-3,5,9H,4H2
InChIKeyONLWEHAEBJMCQI-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.51
Rot. Bonds4

About 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one

1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one (PubChem CID 55203346) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
PubChem CID55203346
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESO=C(Cc1nc(-c2cccnc2)no1)C(F)F
InChIInChI=1S/C10H7F2N3O2/c11-9(12)7(16)4-8-14-10(15-17-8)6-2-1-3-13-5-6/h1-3,5,9H,4H2
InChIKeyONLWEHAEBJMCQI-UHFFFAOYSA-N
XLogP1.51
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
1,1,1-trifluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 55200862
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 112683746
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(difluoromethylsulfanyl)benzoate
CID 30259115
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 63344525
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The IUPAC name of 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one (CID 55203346) is 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The canonical SMILES for 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one is O=C(Cc1nc(-c2cccnc2)no1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The InChIKey is ONLWEHAEBJMCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-9(12)7(16)4-8-14-10(15-17-8)6-2-1-3-13-5-6/h1-3,5,9H,4H2.
What are the key properties of 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one has a molecular weight of 239.18 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one is sourced from PubChem (CID 55203346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).