2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene

C63H87N17O2S — CID 159069939

IUPAC2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene

SMILESCc1cc(C)ncn1.Cc1cc(C)on1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cn(C)nn1.Cc1cnc(C)s1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1nnc(C)o1

InChIInChI=1S/C8H10.2C7H9N.3C6H8N2.C5H8N2.C5H7NO.C5H7NS.C4H7N3.C4H6N2O/c1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3/h3-6H,1-2H3;2*3-5H,1-2H3;3*3-4H,1-2H3;3-4H,1-2H3;3*3H,1-2H3;1-2H3

InChIKeyJZNBRJKLZNWFRS-UHFFFAOYSA-N

MW1146.57 g/mol

LogP13.57

Rot. Bonds

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene (PubChem CID 159069939) has the molecular formula C63H87N17O2S and a molecular weight of 1146.57 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene.

Molecular Properties

Compound Name	2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene
PubChem CID	159069939
Molecular Formula	C63H87N17O2S
Molecular Weight	1146.57 g/mol
Exact Mass	1145.69
IUPAC Name	2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene
SMILES	Cc1cc(C)ncn1.Cc1cc(C)on1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cn(C)nn1.Cc1cnc(C)s1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1nnc(C)o1
InChI	InChI=1S/C8H10.2C7H9N.3C6H8N2.C5H8N2.C5H7NO.C5H7NS.C4H7N3.C4H6N2O/c1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;1-5-3-6(2)8-4-7-5;21-5-3-4-7-6(2)8-5;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3/h3-6H,1-2H3;23-5H,1-2H3;33-4H,1-2H3;3-4H,1-2H3;33H,1-2H3;1-2H3
InChIKey	JZNBRJKLZNWFRS-UHFFFAOYSA-N
XLogP	13.57
TPSA	229.49 Å²
H-Bond Donors
H-Bond Acceptors	20
Rotatable Bonds
Heavy Atoms	83
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1146.57
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene (CID 159069939) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene is Cc1cc(C)ncn1.Cc1cc(C)on1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cn(C)nn1.Cc1cnc(C)s1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1nnc(C)o1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene?

The InChIKey is JZNBRJKLZNWFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H9N.3C6H8N2.C5H8N2.C5H7NO.C5H7NS.C4H7N3.C4H6N2O/c1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3/h3-6H,1-2H3;2*3-5H,1-2H3;3*3-4H,1-2H3;3-4H,1-2H3;3*3H,1-2H3;1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene?

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene is sourced from PubChem (CID 159069939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).