2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

C15H16N2O2 — CID 3236389

IUPAC2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C15H16N2O2/c1-2-3-4-9-12-17-13-14(19-12)10-7-5-6-8-11(10)16-15(13)18/h5-8H,2-4,9H2,1H3,(H,16,18)
InChIKeyCCIUKSDSELGFMH-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.40
Rot. Bonds4

About 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 3236389) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID3236389
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C15H16N2O2/c1-2-3-4-9-12-17-13-14(19-12)10-7-5-6-8-11(10)16-15(13)18/h5-8H,2-4,9H2,1H3,(H,16,18)
InChIKeyCCIUKSDSELGFMH-UHFFFAOYSA-N
XLogP3.40
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 3236389) is 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is CCCCCc1nc2c(=O)[nH]c3ccccc3c2o1.
What is the InChIKey of 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is CCIUKSDSELGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-3-4-9-12-17-13-14(19-12)10-7-5-6-8-11(10)16-15(13)18/h5-8H,2-4,9H2,1H3,(H,16,18).
What are the key properties of 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 256.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3236389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).