3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole

C9H15NO3 — CID 57476521

IUPAC3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole
SMILESCOCCOCc1noc(C)c1C
InChIInChI=1S/C9H15NO3/c1-7-8(2)13-10-9(7)6-12-5-4-11-3/h4-6H2,1-3H3
InChIKeyVQUFXVQTCQHAID-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.45
Rot. Bonds5

About 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole

3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole (PubChem CID 57476521) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole
PubChem CID57476521
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole
SMILESCOCCOCc1noc(C)c1C
InChIInChI=1S/C9H15NO3/c1-7-8(2)13-10-9(7)6-12-5-4-11-3/h4-6H2,1-3H3
InChIKeyVQUFXVQTCQHAID-UHFFFAOYSA-N
XLogP1.45
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
CID 27536
Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
CID 2799417
[3-(Methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid
CID 59648165
Methyl 4-ethoxycarbonyl-5-methylisoxazole-3-carboxylate
CID 15682534
Ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 10679077
3,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-ethyl 4-methyl ester
CID 5325762
Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate
CID 7174213
3-Methoxymethyl-5-methyisoxazole
CID 12278252
2-(3,5-Dimethyl-1,2-oxazol-4-yl)ethan-1-ol
CID 12762346
Ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
CID 10377037
Ethyl 3-(diethoxyphosphanyloxymethyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134908882
ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate
CID 102320231

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole?
The IUPAC name of 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole (CID 57476521) is 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole is COCCOCc1noc(C)c1C.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole?
The InChIKey is VQUFXVQTCQHAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7-8(2)13-10-9(7)6-12-5-4-11-3/h4-6H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole?
3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole has a molecular weight of 185.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 57476521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).