N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide

C16H17ClFN3O2 — CID 136563183

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ncco2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN3O2/c17-13-9-12(1-2-14(13)18)20-15(22)10-21-6-3-11(4-7-21)16-19-5-8-23-16/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22)
InChIKeyQACNYBZXFOBJAU-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.29
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 136563183) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide
PubChem CID136563183
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ncco2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN3O2/c17-13-9-12(1-2-14(13)18)20-15(22)10-21-6-3-11(4-7-21)16-19-5-8-23-16/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22)
InChIKeyQACNYBZXFOBJAU-UHFFFAOYSA-N
XLogP3.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide (CID 136563183) is N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2ncco2)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is QACNYBZXFOBJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c17-13-9-12(1-2-14(13)18)20-15(22)10-21-6-3-11(4-7-21)16-19-5-8-23-16/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 337.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 136563183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).