5-tert-butyl-7-methoxy-2,1-benzoxazole

C12H15NO2 — CID 164740635

IUPAC5-tert-butyl-7-methoxy-2,1-benzoxazole
SMILESCOc1cc(C(C)(C)C)cc2conc12
InChIInChI=1S/C12H15NO2/c1-12(2,3)9-5-8-7-15-13-11(8)10(6-9)14-4/h5-7H,1-4H3
InChIKeyMWOHKVZFRWVBKT-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.13
Rot. Bonds1

About 5-tert-butyl-7-methoxy-2,1-benzoxazole

5-tert-butyl-7-methoxy-2,1-benzoxazole (PubChem CID 164740635) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-tert-butyl-7-methoxy-2,1-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-7-methoxy-2,1-benzoxazole
PubChem CID164740635
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-tert-butyl-7-methoxy-2,1-benzoxazole
SMILESCOc1cc(C(C)(C)C)cc2conc12
InChIInChI=1S/C12H15NO2/c1-12(2,3)9-5-8-7-15-13-11(8)10(6-9)14-4/h5-7H,1-4H3
InChIKeyMWOHKVZFRWVBKT-UHFFFAOYSA-N
XLogP3.13
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-tert-butyl-2,6-dimethoxybenzaldehyde
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5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
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1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
2,6-ditert-butyl-4-(fluoromethoxy)-1,3-benzothiazole
CID 134411058
CID 102222126
CID 102222126
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687
3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine
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4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole
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1,2-ditert-butyl-4-methoxy-5-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-methoxy-2,1-benzoxazole?
The IUPAC name of 5-tert-butyl-7-methoxy-2,1-benzoxazole (CID 164740635) is 5-tert-butyl-7-methoxy-2,1-benzoxazole.
What is the SMILES notation for 5-tert-butyl-7-methoxy-2,1-benzoxazole?
The canonical SMILES for 5-tert-butyl-7-methoxy-2,1-benzoxazole is COc1cc(C(C)(C)C)cc2conc12.
What is the InChIKey of 5-tert-butyl-7-methoxy-2,1-benzoxazole?
The InChIKey is MWOHKVZFRWVBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)9-5-8-7-15-13-11(8)10(6-9)14-4/h5-7H,1-4H3.
What are the key properties of 5-tert-butyl-7-methoxy-2,1-benzoxazole?
5-tert-butyl-7-methoxy-2,1-benzoxazole has a molecular weight of 205.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-methoxy-2,1-benzoxazole is sourced from PubChem (CID 164740635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).