bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole

C36H53N5O3 — CID 165047373

IUPACbis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole
SMILESCc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1ccn(C)c1.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccoc1C
InChIInChI=1S/C7H11N.C6H10N2.C6H9N.2C6H8O.C5H7NO/c1-6-4-5-8(3)7(6)2;1-5-4-6(2)8(3)7-5;1-6-3-4-7(2)5-6;2*1-5-3-4-7-6(5)2;1-4-3-5(2)7-6-4/h4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;3H,1-2H3
InChIKeyPCURFJQKDRWOES-UHFFFAOYSA-N
MW603.85 g/mol
LogP9.10
Rot. Bonds

About bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole

bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole (PubChem CID 165047373) has the molecular formula C36H53N5O3 and a molecular weight of 603.85 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole.

Molecular Properties

Compound Namebis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole
PubChem CID165047373
Molecular FormulaC36H53N5O3
Molecular Weight603.85 g/mol
Exact Mass603.41
IUPAC Namebis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole
SMILESCc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1ccn(C)c1.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccoc1C
InChIInChI=1S/C7H11N.C6H10N2.C6H9N.2C6H8O.C5H7NO/c1-6-4-5-8(3)7(6)2;1-5-4-6(2)8(3)7-5;1-6-3-4-7(2)5-6;2*1-5-3-4-7-6(5)2;1-4-3-5(2)7-6-4/h4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;3H,1-2H3
InChIKeyPCURFJQKDRWOES-UHFFFAOYSA-N
XLogP9.10
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.85
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2-methoxy-4-methylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 157689049
3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 158865883
5-(1,1-Difluoroethyl)-2,4-dimethyl-1,2,4-triazol-3-one;2,3-dimethylfuran;1,3-dimethylpyrrole;4-fluoro-1-methylpyrazole;3-methylfuran;1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(trifluoromethyl)pyrazole
CID 159774333
3,5-diethyl-4-propan-2-yl-2H-pyrrole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 161289315
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 157208151
1,2-Dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
CID 157465996
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;ethane;methane;2-propan-2-yl-3H-isoindol-1-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158003471
2,3-Ditert-butylfuran;4,5-ditert-butyl-1-methylpyrazole;4,5-ditert-butyl-1,2-oxazole;2,3-ditert-butylpyridine;4,5-ditert-butyl-1,2-thiazole
CID 158113191
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 158629319
Bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)
CID 158744874
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine
CID 159136983
2,3-Dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 159387911

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
The IUPAC name of bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole (CID 165047373) is bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole.
What is the SMILES notation for bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
The canonical SMILES for bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole is Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1ccn(C)c1.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccoc1C.
What is the InChIKey of bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
The InChIKey is PCURFJQKDRWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H10N2.C6H9N.2C6H8O.C5H7NO/c1-6-4-5-8(3)7(6)2;1-5-4-6(2)8(3)7-5;1-6-3-4-7(2)5-6;2*1-5-3-4-7-6(5)2;1-4-3-5(2)7-6-4/h4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;3H,1-2H3.
What are the key properties of bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole has a molecular weight of 603.85 g/mol, XLogP of 9.10, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole is sourced from PubChem (CID 165047373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).