1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one

C17H13F2N3O3 — CID 71972195

IUPAC1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCOc1ccc(-c2noc(CCC(=O)c3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C17H13F2N3O3/c1-24-15-6-3-11(9-20-15)17-21-16(25-22-17)7-5-14(23)10-2-4-12(18)13(19)8-10/h2-4,6,8-9H,5,7H2,1H3
InChIKeyYHHKWVHPOTVDKT-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.23
Rot. Bonds6

About 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 71972195) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID71972195
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCOc1ccc(-c2noc(CCC(=O)c3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C17H13F2N3O3/c1-24-15-6-3-11(9-20-15)17-21-16(25-22-17)7-5-14(23)10-2-4-12(18)13(19)8-10/h2-4,6,8-9H,5,7H2,1H3
InChIKeyYHHKWVHPOTVDKT-UHFFFAOYSA-N
XLogP3.23
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one with MolForge

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
(4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592474
(4-fluorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592484
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 110620811
N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473
N-[(5-bromo-2-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55595156
3-[3-[5-[3-(3-fluoro-4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 166213602
(2-bromo-4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24594435
[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 6-methoxypyridine-3-carboxylate
CID 51047439
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 71972195) is 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one is COc1ccc(-c2noc(CCC(=O)c3ccc(F)c(F)c3)n2)cn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is YHHKWVHPOTVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-24-15-6-3-11(9-20-15)17-21-16(25-22-17)7-5-14(23)10-2-4-12(18)13(19)8-10/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 345.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 71972195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).