6-chloro-2-morpholin-4-yl-1,3-benzoxazole

C11H11ClN2O2 — CID 42611897

IUPAC6-chloro-2-morpholin-4-yl-1,3-benzoxazole
SMILESClc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C11H11ClN2O2/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeySZSTVOZEKWBMFD-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.32
Rot. Bonds1

About 6-chloro-2-morpholin-4-yl-1,3-benzoxazole

6-chloro-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 42611897) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 6-chloro-2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-morpholin-4-yl-1,3-benzoxazole
PubChem CID42611897
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name6-chloro-2-morpholin-4-yl-1,3-benzoxazole
SMILESClc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C11H11ClN2O2/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeySZSTVOZEKWBMFD-UHFFFAOYSA-N
XLogP2.32
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole (CID 42611897) is 6-chloro-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-morpholin-4-yl-1,3-benzoxazole is Clc1ccc2nc(N3CCOCC3)oc2c1.
What is the InChIKey of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is SZSTVOZEKWBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole?
6-chloro-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 238.67 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 42611897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).