2-(1,3-benzoxazol-4-yl)propyl formate

C11H11NO3 — CID 174625080

IUPAC2-(1,3-benzoxazol-4-yl)propyl formate
SMILESCC(COC=O)c1cccc2ocnc12
InChIInChI=1S/C11H11NO3/c1-8(5-14-7-13)9-3-2-4-10-11(9)12-6-15-10/h2-4,6-8H,5H2,1H3
InChIKeyIJZUFYGLRDOPLM-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.10
Rot. Bonds4

About 2-(1,3-benzoxazol-4-yl)propyl formate

2-(1,3-benzoxazol-4-yl)propyl formate (PubChem CID 174625080) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-4-yl)propyl formate.

Molecular Properties

Compound Name2-(1,3-benzoxazol-4-yl)propyl formate
PubChem CID174625080
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(1,3-benzoxazol-4-yl)propyl formate
SMILESCC(COC=O)c1cccc2ocnc12
InChIInChI=1S/C11H11NO3/c1-8(5-14-7-13)9-3-2-4-10-11(9)12-6-15-10/h2-4,6-8H,5H2,1H3
InChIKeyIJZUFYGLRDOPLM-UHFFFAOYSA-N
XLogP2.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-4-yl)propyl formate?
The IUPAC name of 2-(1,3-benzoxazol-4-yl)propyl formate (CID 174625080) is 2-(1,3-benzoxazol-4-yl)propyl formate.
What is the SMILES notation for 2-(1,3-benzoxazol-4-yl)propyl formate?
The canonical SMILES for 2-(1,3-benzoxazol-4-yl)propyl formate is CC(COC=O)c1cccc2ocnc12.
What is the InChIKey of 2-(1,3-benzoxazol-4-yl)propyl formate?
The InChIKey is IJZUFYGLRDOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8(5-14-7-13)9-3-2-4-10-11(9)12-6-15-10/h2-4,6-8H,5H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-4-yl)propyl formate?
2-(1,3-benzoxazol-4-yl)propyl formate has a molecular weight of 205.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-4-yl)propyl formate is sourced from PubChem (CID 174625080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).