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

C56H88N6O5 — CID 159021452

IUPAC2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole
SMILESCC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCCC1.CC(C)(C)C1=NCCO1.CC(C)(C)c1ccco1.CC(C)(C)c1ccno1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1
InChIInChI=1S/C11H13NO.C8H15N.C8H13N.C8H12O.C7H13NO.2C7H11NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;3*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6/h4-7H,1-3H3;4-6H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4-5H2,1-3H3;2*4-5H,1-3H3
InChIKeyJTTGODSBJINWGY-UHFFFAOYSA-N
MW925.36 g/mol
LogP15.42
Rot. Bonds

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

2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole (PubChem CID 159021452) has the molecular formula C56H88N6O5 and a molecular weight of 925.36 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole
PubChem CID159021452
Molecular FormulaC56H88N6O5
Molecular Weight925.36 g/mol
Exact Mass924.68
IUPAC Name2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole
SMILESCC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCCC1.CC(C)(C)C1=NCCO1.CC(C)(C)c1ccco1.CC(C)(C)c1ccno1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1
InChIInChI=1S/C11H13NO.C8H15N.C8H13N.C8H12O.C7H13NO.2C7H11NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;3*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6/h4-7H,1-3H3;4-6H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4-5H2,1-3H3;2*4-5H,1-3H3
InChIKeyJTTGODSBJINWGY-UHFFFAOYSA-N
XLogP15.42
TPSA137.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.36
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole?
The IUPAC name of 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole (CID 159021452) is 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole.
What is the SMILES notation for 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole?
The canonical SMILES for 2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole is CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCCC1.CC(C)(C)C1=NCCO1.CC(C)(C)c1ccco1.CC(C)(C)c1ccno1.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;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole?
The InChIKey is JTTGODSBJINWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C8H15N.C8H13N.C8H12O.C7H13NO.2C7H11NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;3*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6/h4-7H,1-3H3;4-6H2,1-3H3;4-5H,6H2,1-3H3;4-6H,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;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole?
2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole has a molecular weight of 925.36 g/mol, XLogP of 15.42, 0 rotatable bonds, 0 hydrogen bond donors, and 11 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;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole is sourced from PubChem (CID 159021452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).