2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole

C50H71N7O5 — CID 158408105

IUPAC2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole

SMILESCc1cc(C)nc(C)n1.Cc1cc(C)on1.Cc1ccc(C)n1C.Cc1cccc(C)n1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1coc(C)c1.Cc1oc(C)c(C)c1C

InChIInChI=1S/C8H12O.C7H10N2.C7H11N.C7H9N.C6H8O.3C5H7NO/c1-5-6(2)8(4)9-7(5)3;1-5-4-6(2)9-7(3)8-5;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(2)8-6;1-5-3-6(2)7-4-5;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4/h1-4H3;4H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;3*3H,1-2H3

InChIKeyGYYKFZLDABUSST-UHFFFAOYSA-N

MW850.16 g/mol

LogP13.03

Rot. Bonds

About 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole

2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole (PubChem CID 158408105) has the molecular formula C50H71N7O5 and a molecular weight of 850.16 g/mol. Its IUPAC name is 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole.

Molecular Properties

Compound Name	2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole
PubChem CID	158408105
Molecular Formula	C50H71N7O5
Molecular Weight	850.16 g/mol
Exact Mass	849.55
IUPAC Name	2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole
SMILES	Cc1cc(C)nc(C)n1.Cc1cc(C)on1.Cc1ccc(C)n1C.Cc1cccc(C)n1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1coc(C)c1.Cc1oc(C)c(C)c1C
InChI	InChI=1S/C8H12O.C7H10N2.C7H11N.C7H9N.C6H8O.3C5H7NO/c1-5-6(2)8(4)9-7(5)3;1-5-4-6(2)9-7(3)8-5;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(2)8-6;1-5-3-6(2)7-4-5;21-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4/h1-4H3;4H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;33H,1-2H3
InChIKey	GYYKFZLDABUSST-UHFFFAOYSA-N
XLogP	13.03
TPSA	147.97 Å²
H-Bond Donors
H-Bond Acceptors	12
Rotatable Bonds
Heavy Atoms	62
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	850.16
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole?

The IUPAC name of 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole (CID 158408105) is 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole.

What is the SMILES notation for 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole?

The canonical SMILES for 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole is Cc1cc(C)nc(C)n1.Cc1cc(C)on1.Cc1ccc(C)n1C.Cc1cccc(C)n1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1coc(C)c1.Cc1oc(C)c(C)c1C.

What is the InChIKey of 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole?

The InChIKey is GYYKFZLDABUSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C7H10N2.C7H11N.C7H9N.C6H8O.3C5H7NO/c1-5-6(2)8(4)9-7(5)3;1-5-4-6(2)9-7(3)8-5;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(2)8-6;1-5-3-6(2)7-4-5;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4/h1-4H3;4H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;3*3H,1-2H3.

What are the key properties of 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole?

2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole has a molecular weight of 850.16 g/mol, XLogP of 13.03, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylfuran;bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;2,6-dimethylpyridine;2,3,4,5-tetramethylfuran;2,4,6-trimethylpyrimidine;1,2,5-trimethylpyrrole is sourced from PubChem (CID 158408105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).