4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine

C9H13ClN2O2 — CID 151651252

IUPAC4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ncc(Cl)o2)CC(C)O1
InChIInChI=1S/C9H13ClN2O2/c1-6-4-12(5-7(2)13-6)9-11-3-8(10)14-9/h3,6-7H,4-5H2,1-2H3
InChIKeyQUODQTVAPDUYFG-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.94
Rot. Bonds1

About 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine

4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine (PubChem CID 151651252) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine
PubChem CID151651252
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ncc(Cl)o2)CC(C)O1
InChIInChI=1S/C9H13ClN2O2/c1-6-4-12(5-7(2)13-6)9-11-3-8(10)14-9/h3,6-7H,4-5H2,1-2H3
InChIKeyQUODQTVAPDUYFG-UHFFFAOYSA-N
XLogP1.94
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine (CID 151651252) is 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine is CC1CN(c2ncc(Cl)o2)CC(C)O1.
What is the InChIKey of 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine?
The InChIKey is QUODQTVAPDUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6-4-12(5-7(2)13-6)9-11-3-8(10)14-9/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine?
4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine has a molecular weight of 216.67 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 151651252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).