3-methyl-5-(octoxymethyl)-1,2-oxazole

C13H23NO2 — CID 13460560

IUPAC3-methyl-5-(octoxymethyl)-1,2-oxazole
SMILESCCCCCCCCOCc1cc(C)no1
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-7-8-9-15-11-13-10-12(2)14-16-13/h10H,3-9,11H2,1-2H3
InChIKeyKFSVGUOYZPQJSZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.86
Rot. Bonds9

About 3-methyl-5-(octoxymethyl)-1,2-oxazole

3-methyl-5-(octoxymethyl)-1,2-oxazole (PubChem CID 13460560) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-methyl-5-(octoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(octoxymethyl)-1,2-oxazole
PubChem CID13460560
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-methyl-5-(octoxymethyl)-1,2-oxazole
SMILESCCCCCCCCOCc1cc(C)no1
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-7-8-9-15-11-13-10-12(2)14-16-13/h10H,3-9,11H2,1-2H3
InChIKeyKFSVGUOYZPQJSZ-UHFFFAOYSA-N
XLogP3.86
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-3-methyl-1,2-oxazole
CID 57223532
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
2-methyl-5-(octoxymethyl)furan
CID 21314380
3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
CID 43620815
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
5-(hexoxymethyl)furan-3-carboxylic acid
CID 62269922
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
CID 62371586
6-(hexoxymethyl)-3-hexylfuro[2,3-d]pyrimidin-2-one
CID 11595187
3-decyl-6-(octoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 11704434

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(octoxymethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(octoxymethyl)-1,2-oxazole (CID 13460560) is 3-methyl-5-(octoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(octoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(octoxymethyl)-1,2-oxazole is CCCCCCCCOCc1cc(C)no1.
What is the InChIKey of 3-methyl-5-(octoxymethyl)-1,2-oxazole?
The InChIKey is KFSVGUOYZPQJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-6-7-8-9-15-11-13-10-12(2)14-16-13/h10H,3-9,11H2,1-2H3.
What are the key properties of 3-methyl-5-(octoxymethyl)-1,2-oxazole?
3-methyl-5-(octoxymethyl)-1,2-oxazole has a molecular weight of 225.33 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(octoxymethyl)-1,2-oxazole is sourced from PubChem (CID 13460560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).