5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole

C30H50N6O2 — CID 158824181

IUPAC5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole
SMILESCC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnco1.Cc1ncoc1C(C)(C)C.Cn1nccc1C(C)(C)C
InChIInChI=1S/C8H14N2.C8H13NO.C7H12N2.C7H11NO/c1-8(2,3)7-5-6-9-10(7)4;1-6-7(8(2,3)4)10-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6/h5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyIWGBPSYLAPKTBE-UHFFFAOYSA-N
MW526.77 g/mol
LogP7.68
Rot. Bonds

About 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole

5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole (PubChem CID 158824181) has the molecular formula C30H50N6O2 and a molecular weight of 526.77 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole
PubChem CID158824181
Molecular FormulaC30H50N6O2
Molecular Weight526.77 g/mol
Exact Mass526.40
IUPAC Name5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole
SMILESCC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnco1.Cc1ncoc1C(C)(C)C.Cn1nccc1C(C)(C)C
InChIInChI=1S/C8H14N2.C8H13NO.C7H12N2.C7H11NO/c1-8(2,3)7-5-6-9-10(7)4;1-6-7(8(2,3)4)10-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6/h5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyIWGBPSYLAPKTBE-UHFFFAOYSA-N
XLogP7.68
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.77
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

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CID 160786993
5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole
CID 18936285
ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol
CID 145060390
5-(2-iodopropan-2-yl)-1-methylpyrazole
CID 129132491
1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63963688
tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine
CID 158122769
4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-1H-pyrazole;(4-tert-butyl-2-pyridinyl)methanol
CID 158691963
2-(1,3-oxazol-5-yl)propan-2-amine
CID 82593655
4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;methane;5-propan-2-yl-1H-pyrazole
CID 161348685
4-(4-tert-butylphenoxy)-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole?
The IUPAC name of 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole (CID 158824181) is 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole is CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnco1.Cc1ncoc1C(C)(C)C.Cn1nccc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole?
The InChIKey is IWGBPSYLAPKTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H13NO.C7H12N2.C7H11NO/c1-8(2,3)7-5-6-9-10(7)4;1-6-7(8(2,3)4)10-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6/h5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole?
5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole has a molecular weight of 526.77 g/mol, XLogP of 7.68, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole is sourced from PubChem (CID 158824181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).