(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone

C24H26N2O3 — CID 19486314

IUPAC(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCc1onc(C(=O)N2CCC(Cc3ccccc3)CC2)c1COc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-18-22(17-28-21-10-6-3-7-11-21)23(25-29-18)24(27)26-14-12-20(13-15-26)16-19-8-4-2-5-9-19/h2-11,20H,12-17H2,1H3
InChIKeyAEWURANPSJLODN-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.66
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone

(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 19486314) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID19486314
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCc1onc(C(=O)N2CCC(Cc3ccccc3)CC2)c1COc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-18-22(17-28-21-10-6-3-7-11-21)23(25-29-18)24(27)26-14-12-20(13-15-26)16-19-8-4-2-5-9-19/h2-11,20H,12-17H2,1H3
InChIKeyAEWURANPSJLODN-UHFFFAOYSA-N
XLogP4.66
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

ethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-4-carboxylate
CID 19486388
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488081
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488152
methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate
CID 19488173
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
(4-benzylpiperidin-1-yl)-[5-methyl-4-[(3-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 19442643
(4-benzylpiperidin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 19442402
1-(4-benzylpiperidin-1-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone
CID 84603688
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 110855772
[4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19444372
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone (CID 19486314) is (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone is Cc1onc(C(=O)N2CCC(Cc3ccccc3)CC2)c1COc1ccccc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is AEWURANPSJLODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18-22(17-28-21-10-6-3-7-11-21)23(25-29-18)24(27)26-14-12-20(13-15-26)16-19-8-4-2-5-9-19/h2-11,20H,12-17H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 19486314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).