N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide

C11H12N2O3 — CID 67786561

IUPACN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C11H12N2O3/c1-7(14)12-5-4-11-13-9-3-2-8(15)6-10(9)16-11/h2-3H,4-6H2,1H3,(H,12,14)
InChIKeyRRKUOSUUGKENJV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.49
Rot. Bonds3

About N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide

N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (PubChem CID 67786561) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
PubChem CID67786561
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C11H12N2O3/c1-7(14)12-5-4-11-13-9-3-2-8(15)6-10(9)16-11/h2-3H,4-6H2,1H3,(H,12,14)
InChIKeyRRKUOSUUGKENJV-UHFFFAOYSA-N
XLogP0.49
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (CID 67786561) is N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is CC(=O)NCCc1nc2c(o1)CC(=O)C=C2.
What is the InChIKey of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The InChIKey is RRKUOSUUGKENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(14)12-5-4-11-13-9-3-2-8(15)6-10(9)16-11/h2-3H,4-6H2,1H3,(H,12,14).
What are the key properties of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide has a molecular weight of 220.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 67786561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).