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

C22H24FN3O3 — CID 20860003

IUPAC1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1CN1CCCC(C(=O)NCc2ccco2)C1
InChIInChI=1S/C22H24FN3O3/c1-15-20(25-22(29-15)18-8-2-3-9-19(18)23)14-26-10-4-6-16(13-26)21(27)24-12-17-7-5-11-28-17/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3,(H,24,27)
InChIKeyBNGAHDOLYBHJRI-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-3-carboxamide

1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 20860003) 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-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID20860003
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-3-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1CN1CCCC(C(=O)NCc2ccco2)C1
InChIInChI=1S/C22H24FN3O3/c1-15-20(25-22(29-15)18-8-2-3-9-19(18)23)14-26-10-4-6-16(13-26)21(27)24-12-17-7-5-11-28-17/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3,(H,24,27)
InChIKeyBNGAHDOLYBHJRI-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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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859955
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
N-(2,2-diethoxyethyl)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 46255206
(3R)-N-[(2-chlorophenyl)methyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 92662505
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 45280538
ethyl 1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 45195176
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860018

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-3-carboxamide?
The IUPAC name of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 20860003) is 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1oc(-c2ccccc2F)nc1CN1CCCC(C(=O)NCc2ccco2)C1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is BNGAHDOLYBHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15-20(25-22(29-15)18-8-2-3-9-19(18)23)14-26-10-4-6-16(13-26)21(27)24-12-17-7-5-11-28-17/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3,(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-3-carboxamide?
1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 20860003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).