1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one

C16H17ClFN3O2 — CID 99838308

IUPAC1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
SMILESC[C@H](Cc1nc(-c2ccc(F)cc2Cl)no1)N1CCCCC1=O
InChIInChI=1S/C16H17ClFN3O2/c1-10(21-7-3-2-4-15(21)22)8-14-19-16(20-23-14)12-6-5-11(18)9-13(12)17/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyLJBIROYLBDOIKB-SNVBAGLBSA-N
MW337.78 g/mol
LogP3.47
Rot. Bonds4

About 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one

1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one (PubChem CID 99838308) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
PubChem CID99838308
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
SMILESC[C@H](Cc1nc(-c2ccc(F)cc2Cl)no1)N1CCCCC1=O
InChIInChI=1S/C16H17ClFN3O2/c1-10(21-7-3-2-4-15(21)22)8-14-19-16(20-23-14)12-6-5-11(18)9-13(12)17/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyLJBIROYLBDOIKB-SNVBAGLBSA-N
XLogP3.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
CID 99838329
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63350302
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349225
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350300
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350438
4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845942
5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847241
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62944820
5-but-3-ynyl-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 121002827
3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 62945973
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81273058

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
The IUPAC name of 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one (CID 99838308) is 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
The canonical SMILES for 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one is C[C@H](Cc1nc(-c2ccc(F)cc2Cl)no1)N1CCCCC1=O.
What is the InChIKey of 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
The InChIKey is LJBIROYLBDOIKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-10(21-7-3-2-4-15(21)22)8-14-19-16(20-23-14)12-6-5-11(18)9-13(12)17/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one has a molecular weight of 337.78 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one is sourced from PubChem (CID 99838308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).