2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole

C46H78N14O2 — CID 165033456

IUPAC2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole
SMILESCC(C)(C)c1cn(Cc2ncco2)cn1.CCCn1cnc(C(C)(C)C)c1.CNC(=O)Cn1ncc(C(C)(C)C)c1C.Cc1[nH]ncc1C(C)(C)C.Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/C11H15N3O.C11H19N3O.C10H18N2.C8H14N2.C6H12N4/c1-11(2,3)9-6-14(8-13-9)7-10-12-4-5-15-10;1-8-9(11(2,3)4)6-13-14(8)7-10(15)12-5;1-5-6-12-7-9(11-8-12)10(2,3)4;1-6-7(5-9-10-6)8(2,3)4;1-6(2,3)5-7-9-10(4)8-5/h4-6,8H,7H2,1-3H3;6H,7H2,1-5H3,(H,12,15);7-8H,5-6H2,1-4H3;5H,1-4H3,(H,9,10);1-4H3
InChIKeyNAEWCPZMZXNNSB-UHFFFAOYSA-N
MW859.23 g/mol
LogP8.57
Rot. Bonds6

About 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole

2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole (PubChem CID 165033456) has the molecular formula C46H78N14O2 and a molecular weight of 859.23 g/mol. Its IUPAC name is 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole.

Molecular Properties

Compound Name2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole
PubChem CID165033456
Molecular FormulaC46H78N14O2
Molecular Weight859.23 g/mol
Exact Mass858.64
IUPAC Name2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole
SMILESCC(C)(C)c1cn(Cc2ncco2)cn1.CCCn1cnc(C(C)(C)C)c1.CNC(=O)Cn1ncc(C(C)(C)C)c1C.Cc1[nH]ncc1C(C)(C)C.Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/C11H15N3O.C11H19N3O.C10H18N2.C8H14N2.C6H12N4/c1-11(2,3)9-6-14(8-13-9)7-10-12-4-5-15-10;1-8-9(11(2,3)4)6-13-14(8)7-10(15)12-5;1-5-6-12-7-9(11-8-12)10(2,3)4;1-6-7(5-9-10-6)8(2,3)4;1-6(2,3)5-7-9-10(4)8-5/h4-6,8H,7H2,1-3H3;6H,7H2,1-5H3,(H,12,15);7-8H,5-6H2,1-4H3;5H,1-4H3,(H,9,10);1-4H3
InChIKeyNAEWCPZMZXNNSB-UHFFFAOYSA-N
XLogP8.57
TPSA180.87 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.23
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-ethylpyrazole;1-tert-butylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);4-tert-butyl-1-methylpyrazole;1-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-methyltriazole;2-tert-butyl-4-methyltriazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyrimidine;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-4-(trifluoromethyl)triazole
CID 157727390
1-tert-butyl-4-fluoropyrazole;1-tert-butylimidazole;1-tert-butyl-4-methoxypyrazole;1-tert-butyl-3-methylpyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-methyltriazole;2-tert-butyl-4-methyltriazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyrimidine;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-4-(trifluoromethyl)pyrazole;2-tert-butyl-4-(trifluoromethyl)triazole
CID 160193633
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole
CID 157098537
1-tert-butylimidazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyrimidine;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
CID 157789281
5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 158319908
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158360371
2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine
CID 158884399
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane
CID 159506842
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole
CID 159643197
5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 161400441
1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
CID 162245680
3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole
CID 163516110

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole?
The IUPAC name of 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole (CID 165033456) is 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole.
What is the SMILES notation for 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole?
The canonical SMILES for 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole is CC(C)(C)c1cn(Cc2ncco2)cn1.CCCn1cnc(C(C)(C)C)c1.CNC(=O)Cn1ncc(C(C)(C)C)c1C.Cc1[nH]ncc1C(C)(C)C.Cn1nnc(C(C)(C)C)n1.
What is the InChIKey of 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole?
The InChIKey is NAEWCPZMZXNNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C11H19N3O.C10H18N2.C8H14N2.C6H12N4/c1-11(2,3)9-6-14(8-13-9)7-10-12-4-5-15-10;1-8-9(11(2,3)4)6-13-14(8)7-10(15)12-5;1-5-6-12-7-9(11-8-12)10(2,3)4;1-6-7(5-9-10-6)8(2,3)4;1-6(2,3)5-7-9-10(4)8-5/h4-6,8H,7H2,1-3H3;6H,7H2,1-5H3,(H,12,15);7-8H,5-6H2,1-4H3;5H,1-4H3,(H,9,10);1-4H3.
What are the key properties of 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole?
2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole has a molecular weight of 859.23 g/mol, XLogP of 8.57, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole is sourced from PubChem (CID 165033456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).