2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole

C10H17NO2 — CID 57087934

IUPAC2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
SMILESCOC(C)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C10H17NO2/c1-7(12-5)8-6-11-9(13-8)10(2,3)4/h6-7H,1-5H3
InChIKeyNLEONWSDXOPEIB-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.68
Rot. Bonds2

About 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole

2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole (PubChem CID 57087934) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
PubChem CID57087934
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
SMILESCOC(C)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C10H17NO2/c1-7(12-5)8-6-11-9(13-8)10(2,3)4/h6-7H,1-5H3
InChIKeyNLEONWSDXOPEIB-UHFFFAOYSA-N
XLogP2.68
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole (CID 57087934) is 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole is COC(C)c1cnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
The InChIKey is NLEONWSDXOPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(12-5)8-6-11-9(13-8)10(2,3)4/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole has a molecular weight of 183.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole is sourced from PubChem (CID 57087934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).