2-tridecan-7-yl-4H-1,3-oxazol-5-one

C16H29NO2 — CID 134433918

IUPAC2-tridecan-7-yl-4H-1,3-oxazol-5-one
SMILESCCCCCCC(CCCCCC)C1=NCC(=O)O1
InChIInChI=1S/C16H29NO2/c1-3-5-7-9-11-14(12-10-8-6-4-2)16-17-13-15(18)19-16/h14H,3-13H2,1-2H3
InChIKeyHGWCQANWSRXBJP-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.50
Rot. Bonds11

About 2-tridecan-7-yl-4H-1,3-oxazol-5-one

2-tridecan-7-yl-4H-1,3-oxazol-5-one (PubChem CID 134433918) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-tridecan-7-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-tridecan-7-yl-4H-1,3-oxazol-5-one
PubChem CID134433918
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-tridecan-7-yl-4H-1,3-oxazol-5-one
SMILESCCCCCCC(CCCCCC)C1=NCC(=O)O1
InChIInChI=1S/C16H29NO2/c1-3-5-7-9-11-14(12-10-8-6-4-2)16-17-13-15(18)19-16/h14H,3-13H2,1-2H3
InChIKeyHGWCQANWSRXBJP-UHFFFAOYSA-N
XLogP4.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-tridecan-7-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-tridecan-7-yl-4H-1,3-oxazol-5-one (CID 134433918) is 2-tridecan-7-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-tridecan-7-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-tridecan-7-yl-4H-1,3-oxazol-5-one is CCCCCCC(CCCCCC)C1=NCC(=O)O1.
What is the InChIKey of 2-tridecan-7-yl-4H-1,3-oxazol-5-one?
The InChIKey is HGWCQANWSRXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-5-7-9-11-14(12-10-8-6-4-2)16-17-13-15(18)19-16/h14H,3-13H2,1-2H3.
What are the key properties of 2-tridecan-7-yl-4H-1,3-oxazol-5-one?
2-tridecan-7-yl-4H-1,3-oxazol-5-one has a molecular weight of 267.41 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecan-7-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 134433918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).