N-(2-chloro-1,3-benzoxazol-4-yl)acetamide

C9H7ClN2O2 — CID 82394758

IUPACN-(2-chloro-1,3-benzoxazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2oc(Cl)nc12
InChIInChI=1S/C9H7ClN2O2/c1-5(13)11-6-3-2-4-7-8(6)12-9(10)14-7/h2-4H,1H3,(H,11,13)
InChIKeyCSNRIOPBKDMYIS-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.44
Rot. Bonds1

About N-(2-chloro-1,3-benzoxazol-4-yl)acetamide

N-(2-chloro-1,3-benzoxazol-4-yl)acetamide (PubChem CID 82394758) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is N-(2-chloro-1,3-benzoxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-1,3-benzoxazol-4-yl)acetamide
PubChem CID82394758
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC NameN-(2-chloro-1,3-benzoxazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2oc(Cl)nc12
InChIInChI=1S/C9H7ClN2O2/c1-5(13)11-6-3-2-4-7-8(6)12-9(10)14-7/h2-4H,1H3,(H,11,13)
InChIKeyCSNRIOPBKDMYIS-UHFFFAOYSA-N
XLogP2.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1,3-benzoxazol-4-yl)acetamide?
The IUPAC name of N-(2-chloro-1,3-benzoxazol-4-yl)acetamide (CID 82394758) is N-(2-chloro-1,3-benzoxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-1,3-benzoxazol-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-1,3-benzoxazol-4-yl)acetamide is CC(=O)Nc1cccc2oc(Cl)nc12.
What is the InChIKey of N-(2-chloro-1,3-benzoxazol-4-yl)acetamide?
The InChIKey is CSNRIOPBKDMYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-5(13)11-6-3-2-4-7-8(6)12-9(10)14-7/h2-4H,1H3,(H,11,13).
What are the key properties of N-(2-chloro-1,3-benzoxazol-4-yl)acetamide?
N-(2-chloro-1,3-benzoxazol-4-yl)acetamide has a molecular weight of 210.62 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1,3-benzoxazol-4-yl)acetamide is sourced from PubChem (CID 82394758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).