1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one

C10H8ClNO2 — CID 83884720

IUPAC1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1cc2ncoc2cc1Cl
InChIInChI=1S/C10H8ClNO2/c1-6(13)2-7-3-9-10(4-8(7)11)14-5-12-9/h3-5H,2H2,1H3
InChIKeyNKNYSWROIFFKJF-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.61
Rot. Bonds2

About 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one

1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one (PubChem CID 83884720) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one
PubChem CID83884720
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1cc2ncoc2cc1Cl
InChIInChI=1S/C10H8ClNO2/c1-6(13)2-7-3-9-10(4-8(7)11)14-5-12-9/h3-5H,2H2,1H3
InChIKeyNKNYSWROIFFKJF-UHFFFAOYSA-N
XLogP2.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one?
The IUPAC name of 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one (CID 83884720) is 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one?
The canonical SMILES for 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one is CC(=O)Cc1cc2ncoc2cc1Cl.
What is the InChIKey of 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one?
The InChIKey is NKNYSWROIFFKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6(13)2-7-3-9-10(4-8(7)11)14-5-12-9/h3-5H,2H2,1H3.
What are the key properties of 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one?
1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one has a molecular weight of 209.63 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one is sourced from PubChem (CID 83884720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).