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

C102H163N13O4S4 — CID 159665066

IUPAC5-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
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.CC1=NCC(C(C)(C)C)=C1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C
InChIInChI=1S/2C10H15N.C9H14N2.C9H15N.4C8H13NO.4C8H13NS/c1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5-6H,1,7H2,2-4H3;5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);5H,6H2,1-4H3;8*5H,1-4H3
InChIKeyMTHLIQWSGHGSAZ-UHFFFAOYSA-N
MW1763.78 g/mol
LogP30.45
Rot. Bonds3

About 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

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 (PubChem CID 159665066) has the molecular formula C102H163N13O4S4 and a molecular weight of 1763.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159665066
Molecular FormulaC102H163N13O4S4
Molecular Weight1763.78 g/mol
Exact Mass1762.18
IUPAC Name5-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
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.CC1=NCC(C(C)(C)C)=C1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C
InChIInChI=1S/2C10H15N.C9H14N2.C9H15N.4C8H13NO.4C8H13NS/c1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5-6H,1,7H2,2-4H3;5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);5H,6H2,1-4H3;8*5H,1-4H3
InChIKeyMTHLIQWSGHGSAZ-UHFFFAOYSA-N
XLogP30.45
TPSA221.44 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.78
LogP ≤ 530.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.CC1=NCC(C(C)(C)C)=C1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is MTHLIQWSGHGSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N.C9H14N2.C9H15N.4C8H13NO.4C8H13NS/c1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5-6H,1,7H2,2-4H3;5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);5H,6H2,1-4H3;8*5H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1763.78 g/mol, XLogP of 30.45, 3 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159665066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).