5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole

C11H21NO3 — CID 13129891

IUPAC5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCC1=NOC(C(OC)OC)C1
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-9-8-10(15-12-9)11(13-2)14-3/h10-11H,4-8H2,1-3H3
InChIKeyIQKQMBWBDVVJPU-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.33
Rot. Bonds7

About 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole

5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole (PubChem CID 13129891) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole
PubChem CID13129891
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCC1=NOC(C(OC)OC)C1
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-9-8-10(15-12-9)11(13-2)14-3/h10-11H,4-8H2,1-3H3
InChIKeyIQKQMBWBDVVJPU-UHFFFAOYSA-N
XLogP2.33
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(Diethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 13158003
5-(2,2-Diethoxyethyl)-3-propyl-4,5-dihydro-1,2-oxazole
CID 11736346
8-[5-(Dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol
CID 13129893
3-Butyl-5-(diethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 13358879
3-(Dimethoxymethyl)-5-pentyl-4,5-dihydro-1,2-oxazole
CID 13722781
5-(Dimethoxymethyl)-3-methyl-4,5-dihydroisoxazole
CID 77174780
5-(Dimethoxymethyl)-3-hexyl-4,5-dihydro-1,2-oxazole
CID 121011222
(5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 124668749
(5R)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 124668750

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole (CID 13129891) is 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole is CCCCCC1=NOC(C(OC)OC)C1.
What is the InChIKey of 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole?
The InChIKey is IQKQMBWBDVVJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-6-7-9-8-10(15-12-9)11(13-2)14-3/h10-11H,4-8H2,1-3H3.
What are the key properties of 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole?
5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole has a molecular weight of 215.29 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13129891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).