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

C13H15ClN2O2 — CID 82105315

IUPAC5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CC1CCNCC1
InChIInChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)16(13(17)18-12)8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyUZGBKJHQPXIZKX-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.25
Rot. Bonds2

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

5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 82105315) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID82105315
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CC1CCNCC1
InChIInChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)16(13(17)18-12)8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyUZGBKJHQPXIZKX-UHFFFAOYSA-N
XLogP2.25
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one (CID 82105315) is 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one is O=c1oc2ccc(Cl)cc2n1CC1CCNCC1.
What is the InChIKey of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is UZGBKJHQPXIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)16(13(17)18-12)8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 82105315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).