3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole

C49H81N7O3S — CID 157146488

IUPAC3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole
SMILESCC1=C(C(C)(C)C)CC=N1.Cc1cn[nH]c1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C
InChIInChI=1S/C9H15N.C8H14N2.3C8H13NO.C8H13NS/c1-7-8(5-6-10-7)9(2,3)4;1-6-5-9-10-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-7(8(2,3)4)10-5-9-6;1-6-5-10-9-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6/h6H,5H2,1-4H3;5H,1-4H3,(H,9,10);4*5H,1-4H3
InChIKeyAKTLZUWECSRTOZ-UHFFFAOYSA-N
MW848.30 g/mol
LogP14.39
Rot. Bonds

About 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole

3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole (PubChem CID 157146488) has the molecular formula C49H81N7O3S and a molecular weight of 848.30 g/mol. Its IUPAC name is 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole
PubChem CID157146488
Molecular FormulaC49H81N7O3S
Molecular Weight848.30 g/mol
Exact Mass847.61
IUPAC Name3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole
SMILESCC1=C(C(C)(C)C)CC=N1.Cc1cn[nH]c1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C
InChIInChI=1S/C9H15N.C8H14N2.3C8H13NO.C8H13NS/c1-7-8(5-6-10-7)9(2,3)4;1-6-5-9-10-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-7(8(2,3)4)10-5-9-6;1-6-5-10-9-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6/h6H,5H2,1-4H3;5H,1-4H3,(H,9,10);4*5H,1-4H3
InChIKeyAKTLZUWECSRTOZ-UHFFFAOYSA-N
XLogP14.39
TPSA132.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.30
LogP ≤ 514.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
CID 157237078
3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole
CID 157592311
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 157641619
ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 158353629
ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 158560967
ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 159623066
5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 159665066
3-tert-butyl-4-methyl-1,2,5-oxadiazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butylthiadiazole;5-tert-butyl-1,3-thiazole
CID 160029254
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 160045520
5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 160125489
5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 160248586
5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 161974395

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole?
The IUPAC name of 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole (CID 157146488) is 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole.
What is the SMILES notation for 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole?
The canonical SMILES for 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole is CC1=C(C(C)(C)C)CC=N1.Cc1cn[nH]c1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole?
The InChIKey is AKTLZUWECSRTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C8H14N2.3C8H13NO.C8H13NS/c1-7-8(5-6-10-7)9(2,3)4;1-6-5-9-10-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-7(8(2,3)4)10-5-9-6;1-6-5-10-9-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6/h6H,5H2,1-4H3;5H,1-4H3,(H,9,10);4*5H,1-4H3.
What are the key properties of 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole?
3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole has a molecular weight of 848.30 g/mol, XLogP of 14.39, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole is sourced from PubChem (CID 157146488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).