(2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C18H22N2O2 — CID 2867736

IUPAC(2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCC1CCCCN1C(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H22N2O2/c1-3-15-11-7-8-12-20(15)18(21)16-13(2)22-19-17(16)14-9-5-4-6-10-14/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3
InChIKeyHRJLHJXRAVXVRB-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.05
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

(2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 2867736) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID2867736
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCC1CCCCN1C(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H22N2O2/c1-3-15-11-7-8-12-20(15)18(21)16-13(2)22-19-17(16)14-9-5-4-6-10-14/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3
InChIKeyHRJLHJXRAVXVRB-UHFFFAOYSA-N
XLogP4.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 2867736) is (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is CCC1CCCCN1C(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is HRJLHJXRAVXVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-15-11-7-8-12-20(15)18(21)16-13(2)22-19-17(16)14-9-5-4-6-10-14/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 2867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).