4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole

C81H122F11N15O4S3 — CID 160983610

IUPAC4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole
SMILESCC(C)(C)c1cc(F)no1.CC(C)(C)c1cnc(F)o1.CC(C)(C)c1cnc(F)s1.CC(C)(C)c1coc(F)n1.CC(C)(C)c1conc1F.CC(C)(C)c1csc(F)n1.CC(C)(C)c1csnc1F.Cn1c(C(C)(C)C)cnc1F.Cn1cc(C(C)(C)C)c(F)n1.Cn1cc(C(C)(C)C)nc1F.Cn1nc(F)cc1C(C)(C)C
InChIInChI=1S/4C8H13FN2.4C7H10FNO.3C7H10FNS/c1-8(2,3)6-5-11(4)7(9)10-6;1-8(2,3)6-5-10-7(9)11(6)4;1-8(2,3)6-5-11(4)10-7(6)9;1-8(2,3)6-5-7(9)10-11(6)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8;1-7(2,3)5-4-6(8)9-10-5;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8/h4*5H,1-4H3;7*4H,1-3H3
InChIKeySZVGCOIKZPJSLV-UHFFFAOYSA-N
MW1675.15 g/mol
LogP23.61
Rot. Bonds

About 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole

4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole (PubChem CID 160983610) has the molecular formula C81H122F11N15O4S3 and a molecular weight of 1675.15 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole
PubChem CID160983610
Molecular FormulaC81H122F11N15O4S3
Molecular Weight1675.15 g/mol
Exact Mass1673.88
IUPAC Name4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole
SMILESCC(C)(C)c1cc(F)no1.CC(C)(C)c1cnc(F)o1.CC(C)(C)c1cnc(F)s1.CC(C)(C)c1coc(F)n1.CC(C)(C)c1conc1F.CC(C)(C)c1csc(F)n1.CC(C)(C)c1csnc1F.Cn1c(C(C)(C)C)cnc1F.Cn1cc(C(C)(C)C)c(F)n1.Cn1cc(C(C)(C)C)nc1F.Cn1nc(F)cc1C(C)(C)C
InChIInChI=1S/4C8H13FN2.4C7H10FNO.3C7H10FNS/c1-8(2,3)6-5-11(4)7(9)10-6;1-8(2,3)6-5-10-7(9)11(6)4;1-8(2,3)6-5-11(4)10-7(6)9;1-8(2,3)6-5-7(9)10-11(6)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8;1-7(2,3)5-4-6(8)9-10-5;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8/h4*5H,1-4H3;7*4H,1-3H3
InChIKeySZVGCOIKZPJSLV-UHFFFAOYSA-N
XLogP23.61
TPSA214.07 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms114
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.15
LogP ≤ 523.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole (CID 160983610) is 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole is CC(C)(C)c1cc(F)no1.CC(C)(C)c1cnc(F)o1.CC(C)(C)c1cnc(F)s1.CC(C)(C)c1coc(F)n1.CC(C)(C)c1conc1F.CC(C)(C)c1csc(F)n1.CC(C)(C)c1csnc1F.Cn1c(C(C)(C)C)cnc1F.Cn1cc(C(C)(C)C)c(F)n1.Cn1cc(C(C)(C)C)nc1F.Cn1nc(F)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole?
The InChIKey is SZVGCOIKZPJSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H13FN2.4C7H10FNO.3C7H10FNS/c1-8(2,3)6-5-11(4)7(9)10-6;1-8(2,3)6-5-10-7(9)11(6)4;1-8(2,3)6-5-11(4)10-7(6)9;1-8(2,3)6-5-7(9)10-11(6)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8;1-7(2,3)5-4-6(8)9-10-5;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8/h4*5H,1-4H3;7*4H,1-3H3.
What are the key properties of 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole?
4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole has a molecular weight of 1675.15 g/mol, XLogP of 23.61, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-1-methylimidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-3-fluoro-1-methylpyrazole;5-tert-butyl-3-fluoro-1-methylpyrazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole is sourced from PubChem (CID 160983610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).