N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

C17H21FN4O3 — CID 91907856

IUPACN-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCc1nc(C2CCCN(C(=O)Nc3cccc(F)c3C)C2)no1
InChIInChI=1S/C17H21FN4O3/c1-11-13(18)6-3-7-14(11)19-17(23)22-8-4-5-12(9-22)16-20-15(10-24-2)25-21-16/h3,6-7,12H,4-5,8-10H2,1-2H3,(H,19,23)
InChIKeyCNHRTUMYHJUYPY-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.08
Rot. Bonds4

About N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91907856) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91907856
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCc1nc(C2CCCN(C(=O)Nc3cccc(F)c3C)C2)no1
InChIInChI=1S/C17H21FN4O3/c1-11-13(18)6-3-7-14(11)19-17(23)22-8-4-5-12(9-22)16-20-15(10-24-2)25-21-16/h3,6-7,12H,4-5,8-10H2,1-2H3,(H,19,23)
InChIKeyCNHRTUMYHJUYPY-UHFFFAOYSA-N
XLogP3.08
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91907856) is N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is COCc1nc(C2CCCN(C(=O)Nc3cccc(F)c3C)C2)no1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is CNHRTUMYHJUYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-11-13(18)6-3-7-14(11)19-17(23)22-8-4-5-12(9-22)16-20-15(10-24-2)25-21-16/h3,6-7,12H,4-5,8-10H2,1-2H3,(H,19,23).
What are the key properties of N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91907856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).