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

C12H18N2O2 — CID 20868335

IUPAC(2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)no1
InChIInChI=1S/C12H18N2O2/c1-3-10-6-4-5-7-14(10)12(15)11-8-9(2)13-16-11/h8,10H,3-7H2,1-2H3
InChIKeyATWGAIQIIIRTOU-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.39
Rot. Bonds2

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

(2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 20868335) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID20868335
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)no1
InChIInChI=1S/C12H18N2O2/c1-3-10-6-4-5-7-14(10)12(15)11-8-9(2)13-16-11/h8,10H,3-7H2,1-2H3
InChIKeyATWGAIQIIIRTOU-UHFFFAOYSA-N
XLogP2.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.39
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)-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (CID 20868335) is (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is CCC1CCCCN1C(=O)c1cc(C)no1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is ATWGAIQIIIRTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-10-6-4-5-7-14(10)12(15)11-8-9(2)13-16-11/h8,10H,3-7H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
(2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 20868335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).