(2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone

C18H22N2O3 — CID 3245596

IUPAC(2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)c1
InChIInChI=1S/C18H22N2O3/c1-12-6-4-7-13(2)20(12)18(21)16-11-17(23-19-16)14-8-5-9-15(10-14)22-3/h5,8-13H,4,6-7H2,1-3H3
InChIKeyIQTSEZUEQHWNHN-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.75
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone

(2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 3245596) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID3245596
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)c1
InChIInChI=1S/C18H22N2O3/c1-12-6-4-7-13(2)20(12)18(21)16-11-17(23-19-16)14-8-5-9-15(10-14)22-3/h5,8-13H,4,6-7H2,1-3H3
InChIKeyIQTSEZUEQHWNHN-UHFFFAOYSA-N
XLogP3.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 3245596) is (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1cccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)c1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is IQTSEZUEQHWNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-6-4-7-13(2)20(12)18(21)16-11-17(23-19-16)14-8-5-9-15(10-14)22-3/h5,8-13H,4,6-7H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 314.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 3245596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).