2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole — IUPAC name, SMILES, InChIKey & properties

Name: 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole

2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole (PubChem CID 157497593) has the molecular formula C159H284N16O3S4 and a molecular weight of 2596.40 g/mol. Its IUPAC name is 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name	2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
PubChem CID	157497593
Molecular Formula	C159H284N16O3S4
Molecular Weight	2596.40 g/mol
Exact Mass	2594.14
IUPAC Name	2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
SMILES	CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1cnc(CC(C)(C)C)cn1.CC(C)(C)Cc1cnc(CC(C)(C)C)s1.CC(C)(C)Cc1cnc(CC(C)(C)C)s1.CC(C)(C)Cc1coc(CC(C)(C)C)c1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1n[nH]c(CC(C)(C)C)n1.CC(C)(C)Cc1nnc(CC(C)(C)C)o1.CC(C)(C)Cc1noc(CC(C)(C)C)n1.Cn1c(CC(C)(C)C)ccc1CC(C)(C)C
InChI	InChI=1S/C15H27N.C14H24N2.2C14H25N.C14H24O.4C13H23NS.C12H23N3.2C12H22N2O/c1-14(2,3)10-12-8-9-13(16(12)7)11-15(4,5)6;1-13(2,3)7-11-9-16-12(10-15-11)8-14(4,5)6;31-13(2,3)8-11-7-12(15-10-11)9-14(4,5)6;21-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;21-12(2,3)7-10-9-14-11(15-10)8-13(4,5)6;1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6;1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6;1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6/h8-9H,10-11H2,1-7H3;9-10H,7-8H2,1-6H3;27,10,15H,8-9H2,1-6H3;7,10H,8-9H2,1-6H3;49H,7-8H2,1-6H3;7-8H2,1-6H3,(H,13,14,15);27-8H2,1-6H3
InChIKey	BYACIROJMWJPAJ-UHFFFAOYSA-N
XLogP	47.45
TPSA	246.40 Å²
H-Bond Donors	3
H-Bond Acceptors	20
Rotatable Bonds	24
Heavy Atoms	182
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2596.40
LogP ≤ 5	47.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Analyze 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

The IUPAC name of 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole (CID 157497593) is 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole.

What is the SMILES notation for 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

The canonical SMILES for 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole is CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1cnc(CC(C)(C)C)cn1.CC(C)(C)Cc1cnc(CC(C)(C)C)s1.CC(C)(C)Cc1cnc(CC(C)(C)C)s1.CC(C)(C)Cc1coc(CC(C)(C)C)c1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1n[nH]c(CC(C)(C)C)n1.CC(C)(C)Cc1nnc(CC(C)(C)C)o1.CC(C)(C)Cc1noc(CC(C)(C)C)n1.Cn1c(CC(C)(C)C)ccc1CC(C)(C)C.

What is the InChIKey of 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

The InChIKey is BYACIROJMWJPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N.C14H24N2.2C14H25N.C14H24O.4C13H23NS.C12H23N3.2C12H22N2O/c1-14(2,3)10-12-8-9-13(16(12)7)11-15(4,5)6;1-13(2,3)7-11-9-16-12(10-15-11)8-14(4,5)6;3*1-13(2,3)8-11-7-12(15-10-11)9-14(4,5)6;2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;2*1-12(2,3)7-10-9-14-11(15-10)8-13(4,5)6;1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6;1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6;1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6/h8-9H,10-11H2,1-7H3;9-10H,7-8H2,1-6H3;2*7,10,15H,8-9H2,1-6H3;7,10H,8-9H2,1-6H3;4*9H,7-8H2,1-6H3;7-8H2,1-6H3,(H,13,14,15);2*7-8H2,1-6H3.

What are the key properties of 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

Where does this data come from?

All data for 2,4-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-thiazole);3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 157497593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).