4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole

C10H17NO2 — CID 168764377

IUPAC4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole
SMILESCOCCc1nocc1C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)8-7-13-11-9(8)5-6-12-4/h7H,5-6H2,1-4H3
InChIKeyDPSJVRQWNZEXKW-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.16
Rot. Bonds3

About 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole

4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole (PubChem CID 168764377) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole
PubChem CID168764377
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole
SMILESCOCCc1nocc1C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)8-7-13-11-9(8)5-6-12-4/h7H,5-6H2,1-4H3
InChIKeyDPSJVRQWNZEXKW-UHFFFAOYSA-N
XLogP2.16
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole?
The IUPAC name of 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole (CID 168764377) is 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole.
What is the SMILES notation for 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole?
The canonical SMILES for 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole is COCCc1nocc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole?
The InChIKey is DPSJVRQWNZEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)8-7-13-11-9(8)5-6-12-4/h7H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole?
4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole has a molecular weight of 183.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole is sourced from PubChem (CID 168764377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).