N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

C17H17FN4O2 — CID 51106945

IUPACN-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3cccc(F)c3C#N)CC2)on1
InChIInChI=1S/C17H17FN4O2/c1-11-9-16(24-21-11)17(23)20-12-5-7-22(8-6-12)15-4-2-3-14(18)13(15)10-19/h2-4,9,12H,5-8H2,1H3,(H,20,23)
InChIKeyMXKTWIFIEWEVKJ-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.39
Rot. Bonds3

About N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 51106945) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID51106945
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3cccc(F)c3C#N)CC2)on1
InChIInChI=1S/C17H17FN4O2/c1-11-9-16(24-21-11)17(23)20-12-5-7-22(8-6-12)15-4-2-3-14(18)13(15)10-19/h2-4,9,12H,5-8H2,1H3,(H,20,23)
InChIKeyMXKTWIFIEWEVKJ-UHFFFAOYSA-N
XLogP2.39
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 51106945) is N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(c3cccc(F)c3C#N)CC2)on1.
What is the InChIKey of N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is MXKTWIFIEWEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-9-16(24-21-11)17(23)20-12-5-7-22(8-6-12)15-4-2-3-14(18)13(15)10-19/h2-4,9,12H,5-8H2,1H3,(H,20,23).
What are the key properties of N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51106945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).