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

C36H60N4O5 — CID 157072757

IUPAC2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole
SMILESCC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1
InChIInChI=1S/C8H12O.C7H13NO.C7H11NO.C7H13NO.C7H11NO/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3
InChIKeyACPVNBJVUVVJNL-UHFFFAOYSA-N
MW628.90 g/mol
LogP9.79
Rot. Bonds

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

2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole (PubChem CID 157072757) has the molecular formula C36H60N4O5 and a molecular weight of 628.90 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole
PubChem CID157072757
Molecular FormulaC36H60N4O5
Molecular Weight628.90 g/mol
Exact Mass628.46
IUPAC Name2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole
SMILESCC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1
InChIInChI=1S/C8H12O.C7H13NO.C7H11NO.C7H13NO.C7H11NO/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3
InChIKeyACPVNBJVUVVJNL-UHFFFAOYSA-N
XLogP9.79
TPSA108.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.90
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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

Launch Full Analysis

Related Compounds

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;methane
CID 157588930
2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157590126
2-Tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;ethane
CID 157807325
2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole
CID 158079660
2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-2-methyl-3H-pyrrole
CID 158103261
4-(2,2-dimethylpropyl)-3,5-dimethyl-2H-pyrrole;2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-4-methyl-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2H-pyrrole
CID 158169819
2,3-Dimethyl-5-propan-2-ylfuran;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(4-methyl-2-propan-2-yl-1,3-oxazole);4-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;tris(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 158797132
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
CID 158925069
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
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
2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;methane
CID 160726340
2-Tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane
CID 160857821

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole?
The IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole (CID 157072757) is 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole.
What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole?
The canonical SMILES for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole is CC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1.
What is the InChIKey of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole?
The InChIKey is ACPVNBJVUVVJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C7H13NO.C7H11NO.C7H13NO.C7H11NO/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole?
2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole has a molecular weight of 628.90 g/mol, XLogP of 9.79, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole is sourced from PubChem (CID 157072757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).