2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide

C12H14N2O3 — CID 3669812

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-2-7-13-11(15)8-14-9-5-3-4-6-10(9)17-12(14)16/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyNHEWKZZFWOSQOO-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.12
Rot. Bonds4

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide (PubChem CID 3669812) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
PubChem CID3669812
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-2-7-13-11(15)8-14-9-5-3-4-6-10(9)17-12(14)16/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyNHEWKZZFWOSQOO-UHFFFAOYSA-N
XLogP1.12
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide (CID 3669812) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide is CCCNC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
The InChIKey is NHEWKZZFWOSQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-7-13-11(15)8-14-9-5-3-4-6-10(9)17-12(14)16/h3-6H,2,7-8H2,1H3,(H,13,15).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide has a molecular weight of 234.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide is sourced from PubChem (CID 3669812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).