5-hexyl-2-propyl-1,3-oxazole

C12H21NO — CID 90916037

IUPAC5-hexyl-2-propyl-1,3-oxazole
SMILESCCCCCCc1cnc(CCC)o1
InChIInChI=1S/C12H21NO/c1-3-5-6-7-9-11-10-13-12(14-11)8-4-2/h10H,3-9H2,1-2H3
InChIKeyNSSFVFRHFBDSDI-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.75
Rot. Bonds7

About 5-hexyl-2-propyl-1,3-oxazole

5-hexyl-2-propyl-1,3-oxazole (PubChem CID 90916037) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-hexyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-hexyl-2-propyl-1,3-oxazole
PubChem CID90916037
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-hexyl-2-propyl-1,3-oxazole
SMILESCCCCCCc1cnc(CCC)o1
InChIInChI=1S/C12H21NO/c1-3-5-6-7-9-11-10-13-12(14-11)8-4-2/h10H,3-9H2,1-2H3
InChIKeyNSSFVFRHFBDSDI-UHFFFAOYSA-N
XLogP3.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.75
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 5-hexyl-2-propyl-1,3-oxazole?
The IUPAC name of 5-hexyl-2-propyl-1,3-oxazole (CID 90916037) is 5-hexyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 5-hexyl-2-propyl-1,3-oxazole?
The canonical SMILES for 5-hexyl-2-propyl-1,3-oxazole is CCCCCCc1cnc(CCC)o1.
What is the InChIKey of 5-hexyl-2-propyl-1,3-oxazole?
The InChIKey is NSSFVFRHFBDSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-7-9-11-10-13-12(14-11)8-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 5-hexyl-2-propyl-1,3-oxazole?
5-hexyl-2-propyl-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 90916037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).