3-pentyl-4,5-dihydro-1,2-oxazol-5-ol

C8H15NO2 — CID 67379032

IUPAC3-pentyl-4,5-dihydro-1,2-oxazol-5-ol
SMILESCCCCCC1=NOC(O)C1
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-7-6-8(10)11-9-7/h8,10H,2-6H2,1H3
InChIKeyNYOMWPWPYXVCCN-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.66
Rot. Bonds4

About 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol

3-pentyl-4,5-dihydro-1,2-oxazol-5-ol (PubChem CID 67379032) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-pentyl-4,5-dihydro-1,2-oxazol-5-ol
PubChem CID67379032
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-pentyl-4,5-dihydro-1,2-oxazol-5-ol
SMILESCCCCCC1=NOC(O)C1
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-7-6-8(10)11-9-7/h8,10H,2-6H2,1H3
InChIKeyNYOMWPWPYXVCCN-UHFFFAOYSA-N
XLogP1.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.66
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 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol?
The IUPAC name of 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol (CID 67379032) is 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol.
What is the SMILES notation for 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol?
The canonical SMILES for 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol is CCCCCC1=NOC(O)C1.
What is the InChIKey of 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol?
The InChIKey is NYOMWPWPYXVCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-5-7-6-8(10)11-9-7/h8,10H,2-6H2,1H3.
What are the key properties of 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol?
3-pentyl-4,5-dihydro-1,2-oxazol-5-ol has a molecular weight of 157.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4,5-dihydro-1,2-oxazol-5-ol is sourced from PubChem (CID 67379032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).