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

C9H13ClN2O — CID 117258852

IUPAC5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole
SMILESCN1CCC(c2ncc(Cl)o2)CC1
InChIInChI=1S/C9H13ClN2O/c1-12-4-2-7(3-5-12)9-11-6-8(10)13-9/h6-7H,2-5H2,1H3
InChIKeyPKEQOVRQLHHRJM-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.14
Rot. Bonds1

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

5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole (PubChem CID 117258852) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole
PubChem CID117258852
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole
SMILESCN1CCC(c2ncc(Cl)o2)CC1
InChIInChI=1S/C9H13ClN2O/c1-12-4-2-7(3-5-12)9-11-6-8(10)13-9/h6-7H,2-5H2,1H3
InChIKeyPKEQOVRQLHHRJM-UHFFFAOYSA-N
XLogP2.14
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole (CID 117258852) is 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole is CN1CCC(c2ncc(Cl)o2)CC1.
What is the InChIKey of 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole?
The InChIKey is PKEQOVRQLHHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12-4-2-7(3-5-12)9-11-6-8(10)13-9/h6-7H,2-5H2,1H3.
What are the key properties of 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole?
5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole has a molecular weight of 200.67 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylpiperidin-4-yl)-1,3-oxazole is sourced from PubChem (CID 117258852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).