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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Related Compounds

2,4,5-trimethyl-1,3-benzoxazole
CID 54244945
2,5-ditert-butyl-4-methyl-1-benzofuran
CID 134411033
7-tert-butyl-8-methylquinoline
CID 146326372
4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 163494197
5,8,15,18,25,28-hexatert-butyl-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 140917962
2-methyl-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 67556812
2,3,5-trimethylfuro[3,2-b]pyridine
CID 21364044
2-methyl-1,3-benzoxazole-4,5-dicarboxylic acid
CID 19800639
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
1,2,4-tritert-butyl-3-methylbenzene
CID 140854295
2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
2,7-dimethyl-[1,3]oxazolo[5,4-c]pyridine
CID 58077926

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).