(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C16H17ClFN3O2 — CID 167953199

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3cc(C)c(F)cc3Cl)CC2)no1
InChIInChI=1S/C16H17ClFN3O2/c1-9-7-12(13(17)8-14(9)18)16(22)21-5-3-11(4-6-21)15-19-10(2)23-20-15/h7-8,11H,3-6H2,1-2H3
InChIKeyRWUGXPINIUBHIJ-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.50
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 167953199) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID167953199
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3cc(C)c(F)cc3Cl)CC2)no1
InChIInChI=1S/C16H17ClFN3O2/c1-9-7-12(13(17)8-14(9)18)16(22)21-5-3-11(4-6-21)15-19-10(2)23-20-15/h7-8,11H,3-6H2,1-2H3
InChIKeyRWUGXPINIUBHIJ-UHFFFAOYSA-N
XLogP3.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 167953199) is (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)c3cc(C)c(F)cc3Cl)CC2)no1.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is RWUGXPINIUBHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-9-7-12(13(17)8-14(9)18)16(22)21-5-3-11(4-6-21)15-19-10(2)23-20-15/h7-8,11H,3-6H2,1-2H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 337.78 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167953199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).