1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone

C10H8ClNO3 — CID 166871952

IUPAC1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone
SMILESCOCC(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C10H8ClNO3/c1-14-5-8(13)6-2-3-9-7(4-6)12-10(11)15-9/h2-4H,5H2,1H3
InChIKeyPWRSZURXDXZYEG-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.31
Rot. Bonds3

About 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone

1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone (PubChem CID 166871952) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone
PubChem CID166871952
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone
SMILESCOCC(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C10H8ClNO3/c1-14-5-8(13)6-2-3-9-7(4-6)12-10(11)15-9/h2-4H,5H2,1H3
InChIKeyPWRSZURXDXZYEG-UHFFFAOYSA-N
XLogP2.31
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
CID 100786779
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
2-chloro-5-(2-methoxyethyl)-1,3-benzoxazole
CID 62369370
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 133167282
2-chloro-1-(2-fluoro-1,3-benzoxazol-5-yl)ethanone
CID 130967524
1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
CID 15750383
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 100787891
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
2-chloro-5-ethylsulfonyl-1,3-benzoxazole
CID 58906316
2-chloro-1-[2-(hydroxymethyl)-1,3-benzoxazol-5-yl]ethanone
CID 131319789
2-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 100788170

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone?
The IUPAC name of 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone (CID 166871952) is 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone is COCC(=O)c1ccc2oc(Cl)nc2c1.
What is the InChIKey of 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone?
The InChIKey is PWRSZURXDXZYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c1-14-5-8(13)6-2-3-9-7(4-6)12-10(11)15-9/h2-4H,5H2,1H3.
What are the key properties of 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone?
1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone has a molecular weight of 225.63 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone is sourced from PubChem (CID 166871952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).