1-(4-pentyl-1,3-oxazol-5-yl)ethanone

C10H15NO2 — CID 126660658

IUPAC1-(4-pentyl-1,3-oxazol-5-yl)ethanone
SMILESCCCCCc1ncoc1C(C)=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-9-10(8(2)12)13-7-11-9/h7H,3-6H2,1-2H3
InChIKeyCMMCIYIAYLYZCR-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-pentyl-1,3-oxazol-5-yl)ethanone

1-(4-pentyl-1,3-oxazol-5-yl)ethanone (PubChem CID 126660658) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(4-pentyl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-pentyl-1,3-oxazol-5-yl)ethanone
PubChem CID126660658
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(4-pentyl-1,3-oxazol-5-yl)ethanone
SMILESCCCCCc1ncoc1C(C)=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-9-10(8(2)12)13-7-11-9/h7H,3-6H2,1-2H3
InChIKeyCMMCIYIAYLYZCR-UHFFFAOYSA-N
XLogP2.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
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 1-(4-pentyl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(4-pentyl-1,3-oxazol-5-yl)ethanone (CID 126660658) is 1-(4-pentyl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-pentyl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(4-pentyl-1,3-oxazol-5-yl)ethanone is CCCCCc1ncoc1C(C)=O.
What is the InChIKey of 1-(4-pentyl-1,3-oxazol-5-yl)ethanone?
The InChIKey is CMMCIYIAYLYZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-6-9-10(8(2)12)13-7-11-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4-pentyl-1,3-oxazol-5-yl)ethanone?
1-(4-pentyl-1,3-oxazol-5-yl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentyl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 126660658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).