6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one

C16H17N3O3 — CID 177226835

IUPAC6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cc(C4CCNCC4)on3)cc2N1
InChIInChI=1S/C16H17N3O3/c20-16-9-21-14-2-1-11(7-13(14)18-16)12-8-15(22-19-12)10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6,9H2,(H,18,20)
InChIKeyIENRUHPVLPMLOL-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.14
Rot. Bonds2

About 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one

6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 177226835) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one
PubChem CID177226835
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cc(C4CCNCC4)on3)cc2N1
InChIInChI=1S/C16H17N3O3/c20-16-9-21-14-2-1-11(7-13(14)18-16)12-8-15(22-19-12)10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6,9H2,(H,18,20)
InChIKeyIENRUHPVLPMLOL-UHFFFAOYSA-N
XLogP2.14
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(3-piperidin-4-yl-1,2-oxazol-5-yl)-4H-1,4-benzoxazin-3-one
CID 177226925
6-(2-cyclopropyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 35618773
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371348
3-phenyl-5-piperidin-4-yl-1,2-oxazole
CID 59732015
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
6-[4-bromo-3-(dimethylamino)-1H-pyrazol-5-yl]-4H-1,4-benzoxazin-3-one
CID 116826059
6-[2-(methylamino)-1,3-oxazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116832523
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
6-(2-thiophen-2-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 7529130
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762

Frequently Asked Questions

What is the IUPAC name of 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one (CID 177226835) is 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3cc(C4CCNCC4)on3)cc2N1.
What is the InChIKey of 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is IENRUHPVLPMLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16-9-21-14-2-1-11(7-13(14)18-16)12-8-15(22-19-12)10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6,9H2,(H,18,20).
What are the key properties of 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one?
6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 299.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 177226835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).