5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole

C11H17ClN2O — CID 117258855

IUPAC5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2ncc(Cl)o2)CC1
InChIInChI=1S/C11H17ClN2O/c1-8(2)14-5-3-9(4-6-14)11-13-7-10(12)15-11/h7-9H,3-6H2,1-2H3
InChIKeyPWQASVICIJVLCY-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.92
Rot. Bonds2

About 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole

5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole (PubChem CID 117258855) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
PubChem CID117258855
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2ncc(Cl)o2)CC1
InChIInChI=1S/C11H17ClN2O/c1-8(2)14-5-3-9(4-6-14)11-13-7-10(12)15-11/h7-9H,3-6H2,1-2H3
InChIKeyPWQASVICIJVLCY-UHFFFAOYSA-N
XLogP2.92
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 126906803
5-Chloro-2-(1-methylpyrrolidin-3-yl)-1,3-oxazole
CID 117258839
5-Chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole
CID 117258841
5-Chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole
CID 117258842
5-Chloro-2-(oxan-4-yl)-1,3-oxazole
CID 117258845
5-Chloro-2-piperidin-4-yl-1,3-oxazole
CID 117258851
5-Chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 117258852
5-Bromo-2-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 117258853
5-Chloro-2-(1-ethylpiperidin-4-yl)-1,3-oxazole
CID 117258854
5-Bromo-2-(1-ethylpiperidin-4-yl)-1,3-oxazole
CID 117258856
5-Bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117258857
5-Chloro-2-(2-methylpropyl)-1,3-oxazole
CID 117258881

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole (CID 117258855) is 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole is CC(C)N1CCC(c2ncc(Cl)o2)CC1.
What is the InChIKey of 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The InChIKey is PWQASVICIJVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)14-5-3-9(4-6-14)11-13-7-10(12)15-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole has a molecular weight of 228.72 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole is sourced from PubChem (CID 117258855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).