5-tert-butyl-2-methyl-1,3-oxazole

C8H13NO — CID 12639617

IUPAC5-tert-butyl-2-methyl-1,3-oxazole
SMILESCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C8H13NO/c1-6-9-5-7(10-6)8(2,3)4/h5H,1-4H3
InChIKeyUHRWTZYVLNXVTC-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.28
Rot. Bonds

About 5-tert-butyl-2-methyl-1,3-oxazole

5-tert-butyl-2-methyl-1,3-oxazole (PubChem CID 12639617) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1,3-oxazole
PubChem CID12639617
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-tert-butyl-2-methyl-1,3-oxazole
SMILESCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C8H13NO/c1-6-9-5-7(10-6)8(2,3)4/h5H,1-4H3
InChIKeyUHRWTZYVLNXVTC-UHFFFAOYSA-N
XLogP2.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-methyl-1,3-oxazole (CID 12639617) is 5-tert-butyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-methyl-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-methyl-1,3-oxazole is Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-methyl-1,3-oxazole?
The InChIKey is UHRWTZYVLNXVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-9-5-7(10-6)8(2,3)4/h5H,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-1,3-oxazole?
5-tert-butyl-2-methyl-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 12639617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).