2-nonyl-1,3-oxazole

C12H21NO — CID 57339819

IUPAC2-nonyl-1,3-oxazole
SMILESCCCCCCCCCc1ncco1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h10-11H,2-9H2,1H3
InChIKeyRPSWTXXQUBHTDG-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.97
Rot. Bonds8

About 2-nonyl-1,3-oxazole

2-nonyl-1,3-oxazole (PubChem CID 57339819) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-nonyl-1,3-oxazole.

Molecular Properties

Compound Name2-nonyl-1,3-oxazole
PubChem CID57339819
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-nonyl-1,3-oxazole
SMILESCCCCCCCCCc1ncco1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h10-11H,2-9H2,1H3
InChIKeyRPSWTXXQUBHTDG-UHFFFAOYSA-N
XLogP3.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.97
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 2-nonyl-1,3-oxazole?
The IUPAC name of 2-nonyl-1,3-oxazole (CID 57339819) is 2-nonyl-1,3-oxazole.
What is the SMILES notation for 2-nonyl-1,3-oxazole?
The canonical SMILES for 2-nonyl-1,3-oxazole is CCCCCCCCCc1ncco1.
What is the InChIKey of 2-nonyl-1,3-oxazole?
The InChIKey is RPSWTXXQUBHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h10-11H,2-9H2,1H3.
What are the key properties of 2-nonyl-1,3-oxazole?
2-nonyl-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1,3-oxazole is sourced from PubChem (CID 57339819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).