1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone

C10H17NO2 — CID 13031961

IUPAC1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
SMILESCCCCCC1=NOC(C(C)=O)C1
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-9-7-10(8(2)12)13-11-9/h10H,3-7H2,1-2H3
InChIKeyCGZBHWOJWAQYSP-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.30
Rot. Bonds5

About 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone

1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone (PubChem CID 13031961) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
PubChem CID13031961
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
SMILESCCCCCC1=NOC(C(C)=O)C1
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-9-7-10(8(2)12)13-11-9/h10H,3-7H2,1-2H3
InChIKeyCGZBHWOJWAQYSP-UHFFFAOYSA-N
XLogP2.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.30
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-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone (CID 13031961) is 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone is CCCCCC1=NOC(C(C)=O)C1.
What is the InChIKey of 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The InChIKey is CGZBHWOJWAQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-6-9-7-10(8(2)12)13-11-9/h10H,3-7H2,1-2H3.
What are the key properties of 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 13031961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).