2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole — IUPAC name, SMILES, InChIKey & properties

Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole (PubChem CID 160599131) has the molecular formula C60H112N20O5S2 and a molecular weight of 1257.82 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Name	2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole
PubChem CID	160599131
Molecular Formula	C60H112N20O5S2
Molecular Weight	1257.82 g/mol
Exact Mass	1256.86
IUPAC Name	2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole
SMILES	C.C.C.C.C.C.C.C.Cc1cc(C)[nH]n1.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1nc(C)n(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1
InChI	InChI=1S/C6H10N2.C5H9N3.C5H8N2.3C5H7NO.C5H7NS.C4H7N3.2C4H6N2O.C4H6N2S.8CH4/c1-5-4-6(2)8(3)7-5;1-4-6-5(2)8(3)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;21-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;;;;/h4H,1-3H3;1-3H3;3H,1-2H3,(H,6,7);43H,1-2H3;1-2H3,(H,5,6,7);31-2H3;81H4
InChIKey	REAQDYZVGVHWNP-UHFFFAOYSA-N
XLogP	16.17
TPSA	313.38 Å²
H-Bond Donors	2
H-Bond Acceptors	25
Rotatable Bonds
Heavy Atoms	87
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.82
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Analyze 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole (CID 160599131) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole is C.C.C.C.C.C.C.C.Cc1cc(C)[nH]n1.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1nc(C)n(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole?

The InChIKey is REAQDYZVGVHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H9N3.C5H8N2.3C5H7NO.C5H7NS.C4H7N3.2C4H6N2O.C4H6N2S.8CH4/c1-5-4-6(2)8(3)7-5;1-4-6-5(2)8(3)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;;;;/h4H,1-3H3;1-3H3;3H,1-2H3,(H,6,7);4*3H,1-2H3;1-2H3,(H,5,6,7);3*1-2H3;8*1H4.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole?

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 160599131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).