2-tridecyl-4,5-dihydro-1,3-oxazole

C16H31NO — CID 18431987

IUPAC2-tridecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h2-15H2,1H3
InChIKeyAXTWULOROZCMFV-UHFFFAOYSA-N
MW253.43 g/mol
LogP5.12
Rot. Bonds12

About 2-tridecyl-4,5-dihydro-1,3-oxazole

2-tridecyl-4,5-dihydro-1,3-oxazole (PubChem CID 18431987) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-tridecyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-tridecyl-4,5-dihydro-1,3-oxazole
PubChem CID18431987
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-tridecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h2-15H2,1H3
InChIKeyAXTWULOROZCMFV-UHFFFAOYSA-N
XLogP5.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.43
LogP ≤ 55.12
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-tridecyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-tridecyl-4,5-dihydro-1,3-oxazole (CID 18431987) is 2-tridecyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-tridecyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-tridecyl-4,5-dihydro-1,3-oxazole is CCCCCCCCCCCCCC1=NCCO1.
What is the InChIKey of 2-tridecyl-4,5-dihydro-1,3-oxazole?
The InChIKey is AXTWULOROZCMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h2-15H2,1H3.
What are the key properties of 2-tridecyl-4,5-dihydro-1,3-oxazole?
2-tridecyl-4,5-dihydro-1,3-oxazole has a molecular weight of 253.43 g/mol, XLogP of 5.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18431987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).