2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone

C14H15NO3 — CID 114825946

IUPAC2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2nc3ccccc3o2)CO1
InChIInChI=1S/C14H15NO3/c1-9-6-10(8-17-9)12(16)7-14-15-11-4-2-3-5-13(11)18-14/h2-5,9-10H,6-8H2,1H3
InChIKeyHVKLPKAFUPSABU-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.36
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone (PubChem CID 114825946) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
PubChem CID114825946
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2nc3ccccc3o2)CO1
InChIInChI=1S/C14H15NO3/c1-9-6-10(8-17-9)12(16)7-14-15-11-4-2-3-5-13(11)18-14/h2-5,9-10H,6-8H2,1H3
InChIKeyHVKLPKAFUPSABU-UHFFFAOYSA-N
XLogP2.36
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone (CID 114825946) is 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone is CC1CC(C(=O)Cc2nc3ccccc3o2)CO1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone?
The InChIKey is HVKLPKAFUPSABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-6-10(8-17-9)12(16)7-14-15-11-4-2-3-5-13(11)18-14/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 114825946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).