5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one

C8H7NO3 — CID 84652015

IUPAC5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cc(O)cc2[nH]c(=O)oc12
InChIInChI=1S/C8H7NO3/c1-4-2-5(10)3-6-7(4)12-8(11)9-6/h2-3,10H,1H3,(H,9,11)
InChIKeyUKTIIIWQHWFCAT-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.14
Rot. Bonds

About 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one

5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 84652015) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one
PubChem CID84652015
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cc(O)cc2[nH]c(=O)oc12
InChIInChI=1S/C8H7NO3/c1-4-2-5(10)3-6-7(4)12-8(11)9-6/h2-3,10H,1H3,(H,9,11)
InChIKeyUKTIIIWQHWFCAT-UHFFFAOYSA-N
XLogP1.14
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one
CID 84652280
5,7-dihydroxy-3H-1,3-benzoxazol-2-one
CID 11701104
5-acetyl-7-amino-3H-1,3-benzoxazol-2-one
CID 82095318
7-methyl-3H-1,3-benzoxazol-2-one;propane
CID 142969733
5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one
CID 82230003
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
7-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonic acid
CID 58762874
5-hydroxy-7-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 59017257
5-chloro-7-(methylaminomethyl)-3H-1,3-benzoxazol-2-one
CID 83885886
7-tert-butyl-5-ethyl-3H-1,3-benzoxazol-2-one
CID 62369360
benzene-1,3,5-triol;tris(2,4-dimethyl-1H-pyrimidin-6-one)
CID 139064568
7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
CID 22765637

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one (CID 84652015) is 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one is Cc1cc(O)cc2[nH]c(=O)oc12.
What is the InChIKey of 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is UKTIIIWQHWFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-4-2-5(10)3-6-7(4)12-8(11)9-6/h2-3,10H,1H3,(H,9,11).
What are the key properties of 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one?
5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 165.15 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 84652015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).