5-propyl-3H-1,3-benzoxazol-2-one

C10H11NO2 — CID 24973322

IUPAC5-propyl-3H-1,3-benzoxazol-2-one
SMILESCCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H11NO2/c1-2-3-7-4-5-9-8(6-7)11-10(12)13-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyKUPZLMHUDIHIFJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.07
Rot. Bonds2

About 5-propyl-3H-1,3-benzoxazol-2-one

5-propyl-3H-1,3-benzoxazol-2-one (PubChem CID 24973322) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-propyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-propyl-3H-1,3-benzoxazol-2-one
PubChem CID24973322
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-propyl-3H-1,3-benzoxazol-2-one
SMILESCCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H11NO2/c1-2-3-7-4-5-9-8(6-7)11-10(12)13-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyKUPZLMHUDIHIFJ-UHFFFAOYSA-N
XLogP2.07
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-propyl-3H-1,3-benzoxazol-2-one (CID 24973322) is 5-propyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-propyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-propyl-3H-1,3-benzoxazol-2-one is CCCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-propyl-3H-1,3-benzoxazol-2-one?
The InChIKey is KUPZLMHUDIHIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-3-7-4-5-9-8(6-7)11-10(12)13-9/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-propyl-3H-1,3-benzoxazol-2-one?
5-propyl-3H-1,3-benzoxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 24973322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).