3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one

C15H20N2O3 — CID 64867888

IUPAC3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(O)C3CCCCN3)ccc21
InChIInChI=1S/C15H20N2O3/c1-2-17-12-7-6-10(9-13(12)20-15(17)19)14(18)11-5-3-4-8-16-11/h6-7,9,11,14,16,18H,2-5,8H2,1H3
InChIKeyHAZRYQCEJLPZNF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.79
Rot. Bonds3

About 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one

3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 64867888) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID64867888
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(O)C3CCCCN3)ccc21
InChIInChI=1S/C15H20N2O3/c1-2-17-12-7-6-10(9-13(12)20-15(17)19)14(18)11-5-3-4-8-16-11/h6-7,9,11,14,16,18H,2-5,8H2,1H3
InChIKeyHAZRYQCEJLPZNF-UHFFFAOYSA-N
XLogP1.79
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 83148970
6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298981
3-ethyl-6-[hydroxy-(2-methylphenyl)methyl]-1,3-benzoxazol-2-one
CID 62301115
6-(2-cyclopentyl-1-hydroxyethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299898
6-(1-bromopropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62299352
3-ethyl-6-[(5-ethylthiophen-2-yl)-hydroxymethyl]-1,3-benzoxazol-2-one
CID 62300930
6-[chloro(oxan-4-yl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62907110
3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62298979
6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62301111
3-ethyl-6-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-1,3-benzoxazol-2-one
CID 79660190
6-[chloro-(2-methylcyclopropyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300567
3-ethyl-6-[hydroxy(thiophen-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62299525

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one (CID 64867888) is 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(O)C3CCCCN3)ccc21.
What is the InChIKey of 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is HAZRYQCEJLPZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-17-12-7-6-10(9-13(12)20-15(17)19)14(18)11-5-3-4-8-16-11/h6-7,9,11,14,16,18H,2-5,8H2,1H3.
What are the key properties of 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one?
3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 64867888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).