2-undecan-5-yl-1,3-oxazole

C14H25NO — CID 134461094

IUPAC2-undecan-5-yl-1,3-oxazole
SMILESCCCCCCC(CCCC)c1ncco1
InChIInChI=1S/C14H25NO/c1-3-5-7-8-10-13(9-6-4-2)14-15-11-12-16-14/h11-13H,3-10H2,1-2H3
InChIKeyZXWIXWKQVGWLCU-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.92
Rot. Bonds9

About 2-undecan-5-yl-1,3-oxazole

2-undecan-5-yl-1,3-oxazole (PubChem CID 134461094) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-undecan-5-yl-1,3-oxazole.

Molecular Properties

Compound Name2-undecan-5-yl-1,3-oxazole
PubChem CID134461094
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-undecan-5-yl-1,3-oxazole
SMILESCCCCCCC(CCCC)c1ncco1
InChIInChI=1S/C14H25NO/c1-3-5-7-8-10-13(9-6-4-2)14-15-11-12-16-14/h11-13H,3-10H2,1-2H3
InChIKeyZXWIXWKQVGWLCU-UHFFFAOYSA-N
XLogP4.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.92
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-undecan-5-yl-1,3-oxazole?
The IUPAC name of 2-undecan-5-yl-1,3-oxazole (CID 134461094) is 2-undecan-5-yl-1,3-oxazole.
What is the SMILES notation for 2-undecan-5-yl-1,3-oxazole?
The canonical SMILES for 2-undecan-5-yl-1,3-oxazole is CCCCCCC(CCCC)c1ncco1.
What is the InChIKey of 2-undecan-5-yl-1,3-oxazole?
The InChIKey is ZXWIXWKQVGWLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-7-8-10-13(9-6-4-2)14-15-11-12-16-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-undecan-5-yl-1,3-oxazole?
2-undecan-5-yl-1,3-oxazole has a molecular weight of 223.36 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecan-5-yl-1,3-oxazole is sourced from PubChem (CID 134461094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).