5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one

C12H13ClN2O3 — CID 27842

IUPAC5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CN1CCOCC1
InChIInChI=1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKeyHUXKPGMUERDTKR-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.54
Rot. Bonds2

About 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one

5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 27842) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID27842
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CN1CCOCC1
InChIInChI=1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKeyHUXKPGMUERDTKR-UHFFFAOYSA-N
XLogP1.54
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one (CID 27842) is 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one is O=c1oc2ccc(Cl)cc2n1CN1CCOCC1.
What is the InChIKey of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is HUXKPGMUERDTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 268.70 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 27842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).