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

C22H23FN4O3 — CID 91918532

IUPACN-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCCC(c2noc(COc3ccccc3)n2)C1
InChIInChI=1S/C22H23FN4O3/c1-15-18(23)10-5-11-19(15)24-22(28)27-12-6-7-16(13-27)21-25-20(30-26-21)14-29-17-8-3-2-4-9-17/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,24,28)
InChIKeyZXQDMMNVKYQKPB-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.51
Rot. Bonds5

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

N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91918532) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91918532
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCCC(c2noc(COc3ccccc3)n2)C1
InChIInChI=1S/C22H23FN4O3/c1-15-18(23)10-5-11-19(15)24-22(28)27-12-6-7-16(13-27)21-25-20(30-26-21)14-29-17-8-3-2-4-9-17/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,24,28)
InChIKeyZXQDMMNVKYQKPB-UHFFFAOYSA-N
XLogP4.51
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.51
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-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91918532) is N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is Cc1c(F)cccc1NC(=O)N1CCCC(c2noc(COc3ccccc3)n2)C1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is ZXQDMMNVKYQKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-15-18(23)10-5-11-19(15)24-22(28)27-12-6-7-16(13-27)21-25-20(30-26-21)14-29-17-8-3-2-4-9-17/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,24,28).
What are the key properties of N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.51, 5 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-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91918532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).