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

C9H15NO2 — CID 57110419

IUPAC2-tert-butyl-5-(methoxymethyl)-1,3-oxazole
SMILESCOCc1cnc(C(C)(C)C)o1
InChIInChI=1S/C9H15NO2/c1-9(2,3)8-10-5-7(12-8)6-11-4/h5H,6H2,1-4H3
InChIKeyPKCXSNUHWQIPLI-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.12
Rot. Bonds2

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

2-tert-butyl-5-(methoxymethyl)-1,3-oxazole (PubChem CID 57110419) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-tert-butyl-5-(methoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(methoxymethyl)-1,3-oxazole
PubChem CID57110419
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-tert-butyl-5-(methoxymethyl)-1,3-oxazole
SMILESCOCc1cnc(C(C)(C)C)o1
InChIInChI=1S/C9H15NO2/c1-9(2,3)8-10-5-7(12-8)6-11-4/h5H,6H2,1-4H3
InChIKeyPKCXSNUHWQIPLI-UHFFFAOYSA-N
XLogP2.12
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.12
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-(methoxymethyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(methoxymethyl)-1,3-oxazole (CID 57110419) is 2-tert-butyl-5-(methoxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(methoxymethyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(methoxymethyl)-1,3-oxazole is COCc1cnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(methoxymethyl)-1,3-oxazole?
The InChIKey is PKCXSNUHWQIPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)8-10-5-7(12-8)6-11-4/h5H,6H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(methoxymethyl)-1,3-oxazole?
2-tert-butyl-5-(methoxymethyl)-1,3-oxazole has a molecular weight of 169.22 g/mol, XLogP of 2.12, 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-(methoxymethyl)-1,3-oxazole is sourced from PubChem (CID 57110419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).