2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole

C81H150N6O3S — CID 157241775

IUPAC2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)CO1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)n1
InChIInChI=1S/2C12H25N.C12H21N.C12H20O.C11H21NO.C11H19NO.C11H19NS/c3*1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;3*1-10(2,3)8-7-13-9(12-8)11(4,5)6/h2*10H,7-9H2,1-6H3;7-9H,1-6H3;7-8H,1-6H3;8H,7H2,1-6H3;2*7H,1-6H3
InChIKeyAVHKJPZXSJBPOK-UHFFFAOYSA-N
MW1288.20 g/mol
LogP23.60
Rot. Bonds

About 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole

2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole (PubChem CID 157241775) has the molecular formula C81H150N6O3S and a molecular weight of 1288.20 g/mol. Its IUPAC name is 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
PubChem CID157241775
Molecular FormulaC81H150N6O3S
Molecular Weight1288.20 g/mol
Exact Mass1287.15
IUPAC Name2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)CO1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)n1
InChIInChI=1S/2C12H25N.C12H21N.C12H20O.C11H21NO.C11H19NO.C11H19NS/c3*1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;3*1-10(2,3)8-7-13-9(12-8)11(4,5)6/h2*10H,7-9H2,1-6H3;7-9H,1-6H3;7-8H,1-6H3;8H,7H2,1-6H3;2*7H,1-6H3
InChIKeyAVHKJPZXSJBPOK-UHFFFAOYSA-N
XLogP23.60
TPSA85.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001288.20
LogP ≤ 523.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole 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-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3S)-3-propan-2-ylcyclopentan-1-amine;(3R)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine
CID 159211957
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;bis((2R)-1,2-dimethylazetidine);(2S)-1,2-dimethylaziridine;ethane;(2S)-2-methylazetidine;(2R)-2-methylazetidine;(2S)-2-methylaziridine;methylcyclobutane;(2S)-2-methyloxirane;(2R)-2-methyloxirane;(2R)-1-methyl-2-propan-2-ylaziridine;2-methyl-6-(trifluoromethyl)pyridine
CID 159610527
4-[[4-[[3-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-4-phenylpyrrol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 139945945
CID 157371056
CID 157371056
2,3-Dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157401617
bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)
CID 157438329
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157441369
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157483645
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
2,4-Ditert-butyl-3,5-dimethylfuran;1,4-ditert-butyl-3,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)
CID 157725027
2-Tert-butyl-5-methylthiophene;2,4-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157751233

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole?
The IUPAC name of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole (CID 157241775) is 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole.
What is the SMILES notation for 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole?
The canonical SMILES for 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole is CC(C)(C)C1=NC(C(C)(C)C)CO1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole?
The InChIKey is AVHKJPZXSJBPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25N.C12H21N.C12H20O.C11H21NO.C11H19NO.C11H19NS/c3*1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;3*1-10(2,3)8-7-13-9(12-8)11(4,5)6/h2*10H,7-9H2,1-6H3;7-9H,1-6H3;7-8H,1-6H3;8H,7H2,1-6H3;2*7H,1-6H3.
What are the key properties of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole?
2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole has a molecular weight of 1288.20 g/mol, XLogP of 23.60, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole is sourced from PubChem (CID 157241775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).