2-decan-2-yl-4,5-dihydro-1,3-oxazole

C13H25NO — CID 19825999

IUPAC2-decan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)C1=NCCO1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-12(2)13-14-10-11-15-13/h12H,3-11H2,1-2H3
InChIKeyKQKKCKFQIBQVHV-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.80
Rot. Bonds8

About 2-decan-2-yl-4,5-dihydro-1,3-oxazole

2-decan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 19825999) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-decan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-decan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID19825999
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-decan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)C1=NCCO1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-12(2)13-14-10-11-15-13/h12H,3-11H2,1-2H3
InChIKeyKQKKCKFQIBQVHV-UHFFFAOYSA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.80
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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Related Compounds

2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol
CID 22413854
2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
CID 22999547
(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol
CID 19844010
2-pentoxy-4,5-dihydro-1,3-oxazole
CID 20523760
2-methylnonane;heptahydrofluoride
CID 160801749
2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole
CID 19825947
dodecan-2-yl(trimethyl)silane
CID 11425039
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
2-tetracosa-9,11-diynyl-4,5-dihydro-1,3-oxazole
CID 102460926
2-henicosan-11-yl-4,4-dimethyl-5H-1,3-oxazole
CID 13410462
1-methyl-5-octan-2-ylpyrazole
CID 135218459

Frequently Asked Questions

What is the IUPAC name of 2-decan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-decan-2-yl-4,5-dihydro-1,3-oxazole (CID 19825999) is 2-decan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-decan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-decan-2-yl-4,5-dihydro-1,3-oxazole is CCCCCCCCC(C)C1=NCCO1.
What is the InChIKey of 2-decan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is KQKKCKFQIBQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-12(2)13-14-10-11-15-13/h12H,3-11H2,1-2H3.
What are the key properties of 2-decan-2-yl-4,5-dihydro-1,3-oxazole?
2-decan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 211.35 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19825999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).