(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol

C15H29NO2 — CID 19844010

IUPAC(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol
SMILESCCCCCCCCC(C)C1=NC(C)(CO)CO1
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-13(2)14-16-15(3,11-17)12-18-14/h13,17H,4-12H2,1-3H3
InChIKeyBANMMYXMVXFCOX-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.55
Rot. Bonds9

About (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol

(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol (PubChem CID 19844010) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol
PubChem CID19844010
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol
SMILESCCCCCCCCC(C)C1=NC(C)(CO)CO1
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-13(2)14-16-15(3,11-17)12-18-14/h13,17H,4-12H2,1-3H3
InChIKeyBANMMYXMVXFCOX-UHFFFAOYSA-N
XLogP3.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.55
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-henicosan-11-yl-4,4-dimethyl-5H-1,3-oxazole
CID 13410462
[(4R)-2-[(E)-heptadec-8-enyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 99116631
2-decan-2-yl-4,5-dihydro-1,3-oxazole
CID 19825999
4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
CID 143317146
2-(2-heptan-2-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 10378605
2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole
CID 19825947
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
2-iodooctadecane
CID 138596673
2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol
CID 22413854
1-methyl-5-octan-2-ylpyrazole
CID 135218459
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
CID 11041373
1-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]amino]octadecan-1-ol
CID 137425834

Frequently Asked Questions

What is the IUPAC name of (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol (CID 19844010) is (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol is CCCCCCCCC(C)C1=NC(C)(CO)CO1.
What is the InChIKey of (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol?
The InChIKey is BANMMYXMVXFCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-13(2)14-16-15(3,11-17)12-18-14/h13,17H,4-12H2,1-3H3.
What are the key properties of (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol?
(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol has a molecular weight of 255.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 19844010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).