4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole

C9H17NO — CID 70405431

IUPAC4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCC1=NC(C)CO1
InChIInChI=1S/C9H17NO/c1-3-4-5-6-9-10-8(2)7-11-9/h8H,3-7H2,1-2H3
InChIKeyALLWFDDFRXGQMZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.38
Rot. Bonds4

About 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole

4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole (PubChem CID 70405431) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole
PubChem CID70405431
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCC1=NC(C)CO1
InChIInChI=1S/C9H17NO/c1-3-4-5-6-9-10-8(2)7-11-9/h8H,3-7H2,1-2H3
InChIKeyALLWFDDFRXGQMZ-UHFFFAOYSA-N
XLogP2.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.38
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 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole (CID 70405431) is 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole is CCCCCC1=NC(C)CO1.
What is the InChIKey of 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ALLWFDDFRXGQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-5-6-9-10-8(2)7-11-9/h8H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole?
4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70405431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).