6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one

C12H16N2O3 — CID 55053294

IUPAC6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one
SMILESNc1ccc2c(c1)oc(=O)n2CCCCCO
InChIInChI=1S/C12H16N2O3/c13-9-4-5-10-11(8-9)17-12(16)14(10)6-2-1-3-7-15/h4-5,8,15H,1-3,6-7,13H2
InChIKeyFNNRNUHEJVRMOC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.34
Rot. Bonds5

About 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one

6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one (PubChem CID 55053294) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one
PubChem CID55053294
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one
SMILESNc1ccc2c(c1)oc(=O)n2CCCCCO
InChIInChI=1S/C12H16N2O3/c13-9-4-5-10-11(8-9)17-12(16)14(10)6-2-1-3-7-15/h4-5,8,15H,1-3,6-7,13H2
InChIKeyFNNRNUHEJVRMOC-UHFFFAOYSA-N
XLogP1.34
TPSA81.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(6-amino-2-oxo-1,3-benzoxazol-3-yl)pentanenitrile
CID 54965994
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
CID 82344647
6-amino-3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-benzoxazol-2-one
CID 61491421
6-amino-3-(2-propan-2-ylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724688
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
3-nonyl-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062882
6-amino-3-(cyclobutylmethyl)-1,3-benzoxazol-2-one
CID 65458515
3-(3-hydroxypropyl)-6-(2-methoxyethenyl)-1,3-benzoxazol-2-one
CID 123194596
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide
CID 61489818
sodium 8-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 70523195

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one (CID 55053294) is 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one is Nc1ccc2c(c1)oc(=O)n2CCCCCO.
What is the InChIKey of 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one?
The InChIKey is FNNRNUHEJVRMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-9-4-5-10-11(8-9)17-12(16)14(10)6-2-1-3-7-15/h4-5,8,15H,1-3,6-7,13H2.
What are the key properties of 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one?
6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 55053294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).