2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol

C13H25NO2 — CID 22413854

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol
SMILESCCCCCCCCC(CO)C1=NCCO1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-12(11-15)13-14-9-10-16-13/h12,15H,2-11H2,1H3
InChIKeyJYJWHGBLHDDMCY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.77
Rot. Bonds9

About 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol

2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol (PubChem CID 22413854) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol
PubChem CID22413854
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol
SMILESCCCCCCCCC(CO)C1=NCCO1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-12(11-15)13-14-9-10-16-13/h12,15H,2-11H2,1H3
InChIKeyJYJWHGBLHDDMCY-UHFFFAOYSA-N
XLogP2.77
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decan-2-yl-4,5-dihydro-1,3-oxazole
CID 19825999
2-(1-dodecylsulfanylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 154087906
2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535
2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
CID 22999547
2-henicosan-11-yl-4,4-dimethyl-5H-1,3-oxazole
CID 13410462
3-[7-(4,5-dihydro-1,3-oxazol-2-yl)decoxy]-4-methylchromen-2-one
CID 171472685
2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile
CID 155019743
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
(2R)-2-(6-chloro-3-pyridinyl)octan-1-ol
CID 124567268
2-(6-chloro-3-pyridinyl)octan-1-ol
CID 59729434
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyldodecan-1-ol
CID 23125768

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol (CID 22413854) is 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol is CCCCCCCCC(CO)C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol?
The InChIKey is JYJWHGBLHDDMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-12(11-15)13-14-9-10-16-13/h12,15H,2-11H2,1H3.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol?
2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol is sourced from PubChem (CID 22413854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).