(4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone

C12H17ClN2O2 — CID 20868361

IUPAC(4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1noc(C(=O)N2C(C)CCCC2C)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-7-5-4-6-8(2)15(7)12(16)11-10(13)9(3)14-17-11/h7-8H,4-6H2,1-3H3
InChIKeyMXFUFBPGZJOPRB-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.04
Rot. Bonds1

About (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone

(4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 20868361) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID20868361
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1noc(C(=O)N2C(C)CCCC2C)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-7-5-4-6-8(2)15(7)12(16)11-10(13)9(3)14-17-11/h7-8H,4-6H2,1-3H3
InChIKeyMXFUFBPGZJOPRB-UHFFFAOYSA-N
XLogP3.04
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 20868361) is (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone is Cc1noc(C(=O)N2C(C)CCCC2C)c1Cl.
What is the InChIKey of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is MXFUFBPGZJOPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7-5-4-6-8(2)15(7)12(16)11-10(13)9(3)14-17-11/h7-8H,4-6H2,1-3H3.
What are the key properties of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
(4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 256.73 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 20868361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).