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

C7H9ClN2O2 — CID 117260213

IUPAC4-(5-chloro-1,3-oxazol-2-yl)morpholine
SMILESClc1cnc(N2CCOCC2)o1
InChIInChI=1S/C7H9ClN2O2/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyYQUPBJSIYJBZOQ-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.16
Rot. Bonds1

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

4-(5-chloro-1,3-oxazol-2-yl)morpholine (PubChem CID 117260213) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-(5-chloro-1,3-oxazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-1,3-oxazol-2-yl)morpholine
PubChem CID117260213
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-(5-chloro-1,3-oxazol-2-yl)morpholine
SMILESClc1cnc(N2CCOCC2)o1
InChIInChI=1S/C7H9ClN2O2/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyYQUPBJSIYJBZOQ-UHFFFAOYSA-N
XLogP1.16
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.16
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)morpholine?
The IUPAC name of 4-(5-chloro-1,3-oxazol-2-yl)morpholine (CID 117260213) is 4-(5-chloro-1,3-oxazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-1,3-oxazol-2-yl)morpholine?
The canonical SMILES for 4-(5-chloro-1,3-oxazol-2-yl)morpholine is Clc1cnc(N2CCOCC2)o1.
What is the InChIKey of 4-(5-chloro-1,3-oxazol-2-yl)morpholine?
The InChIKey is YQUPBJSIYJBZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2.
What are the key properties of 4-(5-chloro-1,3-oxazol-2-yl)morpholine?
4-(5-chloro-1,3-oxazol-2-yl)morpholine has a molecular weight of 188.61 g/mol, XLogP of 1.16, 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)morpholine is sourced from PubChem (CID 117260213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).