3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one

C11H13NO3 — CID 82344647

IUPAC3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCCO
InChIInChI=1S/C11H13NO3/c1-8-3-4-9-10(7-8)15-11(14)12(9)5-2-6-13/h3-4,7,13H,2,5-6H2,1H3
InChIKeyPZOASRUSWRFJNZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.29
Rot. Bonds3

About 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one

3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one (PubChem CID 82344647) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
PubChem CID82344647
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCCO
InChIInChI=1S/C11H13NO3/c1-8-3-4-9-10(7-8)15-11(14)12(9)5-2-6-13/h3-4,7,13H,2,5-6H2,1H3
InChIKeyPZOASRUSWRFJNZ-UHFFFAOYSA-N
XLogP1.29
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
sodium 8-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 70523195
6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one
CID 55053294
3-(3-hydroxypropyl)-6-(2-methoxyethenyl)-1,3-benzoxazol-2-one
CID 123194596
6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 73054095
N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344653
3-[3-(dimethylamino)propyl]-6-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357408
6-bromo-3-butyl-1,3-benzoxazol-2-one
CID 3121349
3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one
CID 82344656
3-nonyl-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062882
3-acetyl-6-methyl-1,3-benzoxazol-2-one
CID 59461762
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one (CID 82344647) is 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one is Cc1ccc2c(c1)oc(=O)n2CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one?
The InChIKey is PZOASRUSWRFJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-3-4-9-10(7-8)15-11(14)12(9)5-2-6-13/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one?
3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82344647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).