3-methyl-5-pentyl-1,2-oxazole

C9H15NO — CID 12745094

IUPAC3-methyl-5-pentyl-1,2-oxazole
SMILESCCCCCc1cc(C)no1
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9-7-8(2)10-11-9/h7H,3-6H2,1-2H3
InChIKeyROPFJXUTDQBVMF-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.72
Rot. Bonds4

About 3-methyl-5-pentyl-1,2-oxazole

3-methyl-5-pentyl-1,2-oxazole (PubChem CID 12745094) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methyl-5-pentyl-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-pentyl-1,2-oxazole
PubChem CID12745094
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methyl-5-pentyl-1,2-oxazole
SMILESCCCCCc1cc(C)no1
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9-7-8(2)10-11-9/h7H,3-6H2,1-2H3
InChIKeyROPFJXUTDQBVMF-UHFFFAOYSA-N
XLogP2.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-5-pentyl-1,2-oxazole?
The IUPAC name of 3-methyl-5-pentyl-1,2-oxazole (CID 12745094) is 3-methyl-5-pentyl-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-pentyl-1,2-oxazole?
The canonical SMILES for 3-methyl-5-pentyl-1,2-oxazole is CCCCCc1cc(C)no1.
What is the InChIKey of 3-methyl-5-pentyl-1,2-oxazole?
The InChIKey is ROPFJXUTDQBVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-6-9-7-8(2)10-11-9/h7H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-pentyl-1,2-oxazole?
3-methyl-5-pentyl-1,2-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentyl-1,2-oxazole is sourced from PubChem (CID 12745094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).