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

C15H29NO — CID 22999539

IUPAC2-dodecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h2-14H2,1H3
InChIKeyOWWOMMRAJBVMAC-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.73
Rot. Bonds11

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

2-dodecyl-4,5-dihydro-1,3-oxazole (PubChem CID 22999539) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-dodecyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-dodecyl-4,5-dihydro-1,3-oxazole
PubChem CID22999539
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-dodecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h2-14H2,1H3
InChIKeyOWWOMMRAJBVMAC-UHFFFAOYSA-N
XLogP4.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.73
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-dodecyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-dodecyl-4,5-dihydro-1,3-oxazole (CID 22999539) is 2-dodecyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-dodecyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-dodecyl-4,5-dihydro-1,3-oxazole is CCCCCCCCCCCCC1=NCCO1.
What is the InChIKey of 2-dodecyl-4,5-dihydro-1,3-oxazole?
The InChIKey is OWWOMMRAJBVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h2-14H2,1H3.
What are the key properties of 2-dodecyl-4,5-dihydro-1,3-oxazole?
2-dodecyl-4,5-dihydro-1,3-oxazole has a molecular weight of 239.40 g/mol, XLogP of 4.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22999539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).