6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one

C13H15NO3 — CID 116963804

IUPAC6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C3(CO)CCC3)ccc21
InChIInChI=1S/C13H15NO3/c1-14-10-4-3-9(7-11(10)17-12(14)16)13(8-15)5-2-6-13/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyRMVHVEKXNCUZIC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.55
Rot. Bonds2

About 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one

6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 116963804) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID116963804
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C3(CO)CCC3)ccc21
InChIInChI=1S/C13H15NO3/c1-14-10-4-3-9(7-11(10)17-12(14)16)13(8-15)5-2-6-13/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyRMVHVEKXNCUZIC-UHFFFAOYSA-N
XLogP1.55
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115243274
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117369870
3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876214
1-[hydroxy-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836340
5-[[1-(hydroxymethyl)cyclobutyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115246757
2-(1-hydroxycyclopentyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 111430879
6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62273475
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811
5-[3-(chloromethyl)oxetan-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 116871449
N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 46966646
1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
CID 110775565
6-[2-(2,3-dihydroxypropylamino)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 115122348

Frequently Asked Questions

What is the IUPAC name of 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one (CID 116963804) is 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C3(CO)CCC3)ccc21.
What is the InChIKey of 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is RMVHVEKXNCUZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14-10-4-3-9(7-11(10)17-12(14)16)13(8-15)5-2-6-13/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one?
6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 116963804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).