1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C22H24FN3O3 — CID 3242398

IUPAC1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H24FN3O3/c1-15-20(25-22(29-15)18-6-2-3-7-19(18)23)14-26-10-8-16(9-11-26)21(27)24-13-17-5-4-12-28-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyBMXXSIKCSVBVGL-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.91
Rot. Bonds6

About 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3242398) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3242398
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H24FN3O3/c1-15-20(25-22(29-15)18-6-2-3-7-19(18)23)14-26-10-8-16(9-11-26)21(27)24-13-17-5-4-12-28-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyBMXXSIKCSVBVGL-UHFFFAOYSA-N
XLogP3.91
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 3242398) is 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BMXXSIKCSVBVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15-20(25-22(29-15)18-6-2-3-7-19(18)23)14-26-10-8-16(9-11-26)21(27)24-13-17-5-4-12-28-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3242398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).