1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one

C17H15F2N3O3 — CID 100659683

IUPAC1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1C[C@@](C)(O)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C17H15F2N3O3/c1-10-4-3-5-14(23)22(10)9-17(2,24)16-20-15(21-25-16)11-6-7-12(18)13(19)8-11/h3-8,24H,9H2,1-2H3/t17-/m1/s1
InChIKeyMIBSHTCSLOFEIT-QGZVFWFLSA-N
MW347.32 g/mol
LogP2.39
Rot. Bonds4

About 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one

1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one (PubChem CID 100659683) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one
PubChem CID100659683
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1C[C@@](C)(O)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C17H15F2N3O3/c1-10-4-3-5-14(23)22(10)9-17(2,24)16-20-15(21-25-16)11-6-7-12(18)13(19)8-11/h3-8,24H,9H2,1-2H3/t17-/m1/s1
InChIKeyMIBSHTCSLOFEIT-QGZVFWFLSA-N
XLogP2.39
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one with MolForge

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Related Compounds

2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 70639306
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1-cyclopropyl-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669679
2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylsulfanylpropan-2-ol
CID 57328831
1,1,1-trifluoro-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799029
N-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247
4-[5-(2-amino-1,1,1-trifluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810081
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904405
5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 43658624
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CID 175191611

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one (CID 100659683) is 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1C[C@@](C)(O)c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one?
The InChIKey is MIBSHTCSLOFEIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-10-4-3-5-14(23)22(10)9-17(2,24)16-20-15(21-25-16)11-6-7-12(18)13(19)8-11/h3-8,24H,9H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one?
1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one has a molecular weight of 347.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 100659683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).