5-methoxy-1H-2,1-benzoxazol-3-one

C8H7NO3 — CID 11715223

IUPAC5-methoxy-1H-2,1-benzoxazol-3-one
SMILESCOc1ccc2[nH]oc(=O)c2c1
InChIInChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)8(10)12-9-7/h2-4,9H,1H3
InChIKeyQHDMKCBUPTWYHK-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.13
Rot. Bonds1

About 5-methoxy-1H-2,1-benzoxazol-3-one

5-methoxy-1H-2,1-benzoxazol-3-one (PubChem CID 11715223) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-methoxy-1H-2,1-benzoxazol-3-one.

Molecular Properties

Compound Name5-methoxy-1H-2,1-benzoxazol-3-one
PubChem CID11715223
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name5-methoxy-1H-2,1-benzoxazol-3-one
SMILESCOc1ccc2[nH]oc(=O)c2c1
InChIInChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)8(10)12-9-7/h2-4,9H,1H3
InChIKeyQHDMKCBUPTWYHK-UHFFFAOYSA-N
XLogP1.13
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837
7-methoxy-1H-3,1-benzoxazine-2,4-dione
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2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one
CID 137361929
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione
CID 11043317
4-(aminomethyl)-6-methoxy-1H-quinolin-2-one
CID 82506632
6-methoxy-1H-quinolin-4-one isocyanate
CID 19004901
6-methoxy-9H-carbazol-3-ol
CID 142959347
3-fluoro-6-methoxy-9H-carbazole
CID 171714917

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-2,1-benzoxazol-3-one?
The IUPAC name of 5-methoxy-1H-2,1-benzoxazol-3-one (CID 11715223) is 5-methoxy-1H-2,1-benzoxazol-3-one.
What is the SMILES notation for 5-methoxy-1H-2,1-benzoxazol-3-one?
The canonical SMILES for 5-methoxy-1H-2,1-benzoxazol-3-one is COc1ccc2[nH]oc(=O)c2c1.
What is the InChIKey of 5-methoxy-1H-2,1-benzoxazol-3-one?
The InChIKey is QHDMKCBUPTWYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)8(10)12-9-7/h2-4,9H,1H3.
What are the key properties of 5-methoxy-1H-2,1-benzoxazol-3-one?
5-methoxy-1H-2,1-benzoxazol-3-one has a molecular weight of 165.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-2,1-benzoxazol-3-one is sourced from PubChem (CID 11715223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).