5-tert-butyl-2,4-dimethyl-1,3-benzoxazole

C13H17NO — CID 175060760

IUPAC5-tert-butyl-2,4-dimethyl-1,3-benzoxazole
SMILESCc1nc2c(C)c(C(C)(C)C)ccc2o1
InChIInChI=1S/C13H17NO/c1-8-10(13(3,4)5)6-7-11-12(8)14-9(2)15-11/h6-7H,1-5H3
InChIKeyZHYGZXJOHCJEKY-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.74
Rot. Bonds

About 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole

5-tert-butyl-2,4-dimethyl-1,3-benzoxazole (PubChem CID 175060760) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2,4-dimethyl-1,3-benzoxazole
PubChem CID175060760
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-tert-butyl-2,4-dimethyl-1,3-benzoxazole
SMILESCc1nc2c(C)c(C(C)(C)C)ccc2o1
InChIInChI=1S/C13H17NO/c1-8-10(13(3,4)5)6-7-11-12(8)14-9(2)15-11/h6-7H,1-5H3
InChIKeyZHYGZXJOHCJEKY-UHFFFAOYSA-N
XLogP3.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole (CID 175060760) is 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole is Cc1nc2c(C)c(C(C)(C)C)ccc2o1.
What is the InChIKey of 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole?
The InChIKey is ZHYGZXJOHCJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-10(13(3,4)5)6-7-11-12(8)14-9(2)15-11/h6-7H,1-5H3.
What are the key properties of 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole?
5-tert-butyl-2,4-dimethyl-1,3-benzoxazole has a molecular weight of 203.28 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,4-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 175060760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).