2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole

C53H83N7O7 — CID 159054927

IUPAC2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cnco1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1
InChIInChI=1S/C11H13NO.C7H11NO.C7H13NO.C7H11NO.C7H13NO.2C7H11NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-7H,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;2*4-5H,1-3H3
InChIKeyJXSVDNBXSCOOOB-UHFFFAOYSA-N
MW930.29 g/mol
LogP14.28
Rot. Bonds

About 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole

2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole (PubChem CID 159054927) has the molecular formula C53H83N7O7 and a molecular weight of 930.29 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole
PubChem CID159054927
Molecular FormulaC53H83N7O7
Molecular Weight930.29 g/mol
Exact Mass929.64
IUPAC Name2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cnco1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1
InChIInChI=1S/C11H13NO.C7H11NO.C7H13NO.C7H11NO.C7H13NO.2C7H11NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-7H,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;2*4-5H,1-3H3
InChIKeyJXSVDNBXSCOOOB-UHFFFAOYSA-N
XLogP14.28
TPSA173.33 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.29
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole (CID 159054927) is 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole is CC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cnco1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1.
What is the InChIKey of 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole?
The InChIKey is JXSVDNBXSCOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C7H11NO.C7H13NO.C7H11NO.C7H13NO.2C7H11NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-7H,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;2*4-5H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole?
2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole has a molecular weight of 930.29 g/mol, XLogP of 14.28, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole is sourced from PubChem (CID 159054927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).