1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone

C10H9NO3 — CID 138489181

IUPAC1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone
SMILESCOc1ccc(C(C)=O)c2ocnc12
InChIInChI=1S/C10H9NO3/c1-6(12)7-3-4-8(13-2)9-10(7)14-5-11-9/h3-5H,1-2H3
InChIKeyOAGIOCYUWKCDCW-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.04
Rot. Bonds2

About 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone

1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone (PubChem CID 138489181) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone
PubChem CID138489181
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone
SMILESCOc1ccc(C(C)=O)c2ocnc12
InChIInChI=1S/C10H9NO3/c1-6(12)7-3-4-8(13-2)9-10(7)14-5-11-9/h3-5H,1-2H3
InChIKeyOAGIOCYUWKCDCW-UHFFFAOYSA-N
XLogP2.04
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1,3-benzoxazol-7-yl)methanamine
CID 138489101
1-(8-methoxy-2-methylquinolin-5-yl)ethanone
CID 82576162
7-acetyl-4-methoxy-1-benzofuran-2-carboxamide
CID 13258186
1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
CID 151811277
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
1-(6-acetyl-2,3-dimethoxyphenoxy)hexan-2-one
CID 158404898
1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
CID 70149856
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117318371
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
methanedithione;4-methoxy-1,3-benzothiazole;1-(4-methoxy-1,3-benzothiazol-7-yl)ethanone
CID 159966886

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone?
The IUPAC name of 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone (CID 138489181) is 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone is COc1ccc(C(C)=O)c2ocnc12.
What is the InChIKey of 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone?
The InChIKey is OAGIOCYUWKCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6(12)7-3-4-8(13-2)9-10(7)14-5-11-9/h3-5H,1-2H3.
What are the key properties of 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone?
1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone has a molecular weight of 191.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone is sourced from PubChem (CID 138489181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).