[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C18H22N2O3 — CID 56814293

IUPAC[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)on1
InChIInChI=1S/C18H22N2O3/c1-12-4-5-16(10-13(12)2)22-15-6-8-20(9-7-15)18(21)17-11-14(3)19-23-17/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyJWBYKFDFZPBCOS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.28
Rot. Bonds3

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

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 56814293) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID56814293
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)on1
InChIInChI=1S/C18H22N2O3/c1-12-4-5-16(10-13(12)2)22-15-6-8-20(9-7-15)18(21)17-11-14(3)19-23-17/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyJWBYKFDFZPBCOS-UHFFFAOYSA-N
XLogP3.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56817214
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 55803622
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 74234486
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 56814293) is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)on1.
What is the InChIKey of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is JWBYKFDFZPBCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-4-5-16(10-13(12)2)22-15-6-8-20(9-7-15)18(21)17-11-14(3)19-23-17/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 56814293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).