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

C8H7NO3 — CID 105432561

IUPAC7-methoxy-1H-2,1-benzoxazol-3-one
SMILESCOc1cccc2c(=O)o[nH]c12
InChIInChI=1S/C8H7NO3/c1-11-6-4-2-3-5-7(6)9-12-8(5)10/h2-4,9H,1H3
InChIKeyGHVYBYVNJIWGGX-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.13
Rot. Bonds1

About 7-methoxy-1H-2,1-benzoxazol-3-one

7-methoxy-1H-2,1-benzoxazol-3-one (PubChem CID 105432561) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 7-methoxy-1H-2,1-benzoxazol-3-one.

Molecular Properties

Compound Name7-methoxy-1H-2,1-benzoxazol-3-one
PubChem CID105432561
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name7-methoxy-1H-2,1-benzoxazol-3-one
SMILESCOc1cccc2c(=O)o[nH]c12
InChIInChI=1S/C8H7NO3/c1-11-6-4-2-3-5-7(6)9-12-8(5)10/h2-4,9H,1H3
InChIKeyGHVYBYVNJIWGGX-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

7-(aminomethyl)-1H-2,1-benzoxazol-3-one
CID 105432314
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
CID 136863241
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
CID 117261904
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
2-tert-butyl-8-methoxy-1H-quinolin-4-one
CID 10799531
4-tert-butyl-5-methoxy-10H-acridin-9-one
CID 130376866
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
4,5-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 123546293
1-methoxy-9H-carbazole;oxirane
CID 175234481

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-2,1-benzoxazol-3-one?
The IUPAC name of 7-methoxy-1H-2,1-benzoxazol-3-one (CID 105432561) is 7-methoxy-1H-2,1-benzoxazol-3-one.
What is the SMILES notation for 7-methoxy-1H-2,1-benzoxazol-3-one?
The canonical SMILES for 7-methoxy-1H-2,1-benzoxazol-3-one is COc1cccc2c(=O)o[nH]c12.
What is the InChIKey of 7-methoxy-1H-2,1-benzoxazol-3-one?
The InChIKey is GHVYBYVNJIWGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-11-6-4-2-3-5-7(6)9-12-8(5)10/h2-4,9H,1H3.
What are the key properties of 7-methoxy-1H-2,1-benzoxazol-3-one?
7-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 7-methoxy-1H-2,1-benzoxazol-3-one is sourced from PubChem (CID 105432561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).