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

C14H17NO4 — CID 65157893

IUPAC6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)CC3CCCO3)ccc21
InChIInChI=1S/C14H17NO4/c1-15-11-5-4-9(7-13(11)19-14(15)17)12(16)8-10-3-2-6-18-10/h4-5,7,10,12,16H,2-3,6,8H2,1H3
InChIKeyVQTZHBNEZZBAPS-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.73
Rot. Bonds3

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

6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 65157893) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID65157893
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)CC3CCCO3)ccc21
InChIInChI=1S/C14H17NO4/c1-15-11-5-4-9(7-13(11)19-14(15)17)12(16)8-10-3-2-6-18-10/h4-5,7,10,12,16H,2-3,6,8H2,1H3
InChIKeyVQTZHBNEZZBAPS-UHFFFAOYSA-N
XLogP1.73
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-propyl-1,3-benzoxazol-2-one
CID 65157944
6-(2-cyclopentyl-1-hydroxyethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299898
6-(1-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 14751624
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
6-[(2,2-dimethylcyclopropyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 107002512
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
6-(1-amino-2-pyrrolidin-2-ylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116936028
6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62273475
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
CID 66259192
5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one
CID 65160268

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one (CID 65157893) is 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(O)CC3CCCO3)ccc21.
What is the InChIKey of 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is VQTZHBNEZZBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15-11-5-4-9(7-13(11)19-14(15)17)12(16)8-10-3-2-6-18-10/h4-5,7,10,12,16H,2-3,6,8H2,1H3.
What are the key properties of 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 263.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 65157893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).