2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole — IUPAC name, SMILES, InChIKey & properties

Name: 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole

2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole (PubChem CID 158223765) has the molecular formula C75H124N10O5 and a molecular weight of 1245.88 g/mol. Its IUPAC name is 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole.

Molecular Properties

Compound Name	2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
PubChem CID	158223765
Molecular Formula	C75H124N10O5
Molecular Weight	1245.88 g/mol
Exact Mass	1244.98
IUPAC Name	2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
SMILES	CC(C)(C)C1C=CC(=O)O1.CC1=NC(C(C)(C)C)=CC1.CC1=NC=C(C(C)(C)C)C1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1nocc1C(C)(C)C
InChI	InChI=1S/3C9H15N.2C8H14N2.3C8H13NO.C8H12O2/c1-7-5-8(6-10-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)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;1-8(2,3)6-4-5-7(9)10-6/h6H,5H2,1-4H3;5H,6H2,1-4H3;6H,5H2,1-4H3;25H,1-4H3,(H,9,10);35H,1-4H3;4-6H,1-3H3
InChIKey	GDOCXWORWKQQKQ-UHFFFAOYSA-N
XLogP	20.38
TPSA	198.83 Å²
H-Bond Donors	2
H-Bond Acceptors	13
Rotatable Bonds
Heavy Atoms	90
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1245.88
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Analyze 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?

The IUPAC name of 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole (CID 158223765) is 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole.

What is the SMILES notation for 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?

The canonical SMILES for 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole is CC(C)(C)C1C=CC(=O)O1.CC1=NC(C(C)(C)C)=CC1.CC1=NC=C(C(C)(C)C)C1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1nocc1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?

The InChIKey is GDOCXWORWKQQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15N.2C8H14N2.3C8H13NO.C8H12O2/c1-7-5-8(6-10-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)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;1-8(2,3)6-4-5-7(9)10-6/h6H,5H2,1-4H3;5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);3*5H,1-4H3;4-6H,1-3H3.

What are the key properties of 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?

Where does this data come from?

All data for 2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole is sourced from PubChem (CID 158223765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).