(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate

C12H11ClN2O4 — CID 53364501

IUPAC(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate
SMILESO=C(Oc1noc2cc(Cl)ccc12)N1CCOCC1
InChIInChI=1S/C12H11ClN2O4/c13-8-1-2-9-10(7-8)19-14-11(9)18-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2
InChIKeyDQZUSDBQCBLETH-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.31
Rot. Bonds1

About (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate

(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate (PubChem CID 53364501) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate
PubChem CID53364501
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate
SMILESO=C(Oc1noc2cc(Cl)ccc12)N1CCOCC1
InChIInChI=1S/C12H11ClN2O4/c13-8-1-2-9-10(7-8)19-14-11(9)18-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2
InChIKeyDQZUSDBQCBLETH-UHFFFAOYSA-N
XLogP2.31
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate?
The IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate (CID 53364501) is (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate.
What is the SMILES notation for (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate?
The canonical SMILES for (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate is O=C(Oc1noc2cc(Cl)ccc12)N1CCOCC1.
What is the InChIKey of (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate?
The InChIKey is DQZUSDBQCBLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c13-8-1-2-9-10(7-8)19-14-11(9)18-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2.
What are the key properties of (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate?
(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate has a molecular weight of 282.68 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate is sourced from PubChem (CID 53364501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).