3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one

C20H23N3O3 — CID 77081794

IUPAC3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCN1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C20H23N3O3/c24-19(16-5-3-4-10-21-16)15-8-11-22(12-9-15)13-14-23-17-6-1-2-7-18(17)26-20(23)25/h1-7,10,15,19,24H,8-9,11-14H2
InChIKeyQFIXBIBOXMTQGF-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.44
Rot. Bonds5

About 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one

3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 77081794) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
PubChem CID77081794
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCN1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C20H23N3O3/c24-19(16-5-3-4-10-21-16)15-8-11-22(12-9-15)13-14-23-17-6-1-2-7-18(17)26-20(23)25/h1-7,10,15,19,24H,8-9,11-14H2
InChIKeyQFIXBIBOXMTQGF-UHFFFAOYSA-N
XLogP2.44
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one (CID 77081794) is 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCN1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is QFIXBIBOXMTQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(16-5-3-4-10-21-16)15-8-11-22(12-9-15)13-14-23-17-6-1-2-7-18(17)26-20(23)25/h1-7,10,15,19,24H,8-9,11-14H2.
What are the key properties of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one?
3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 77081794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).