ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole

C52H90N14O4S4 — CID 158246493

IUPACethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC(C)c1cnco1.CC(C)c1cncs1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1
InChIInChI=1S/3C6H10N2O.3C6H10N2S.C6H9NO.C6H9NS.2C2H6/c1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;2*1-5(2)6-3-7-4-8-6;2*1-2/h6*4H,1-3H3;2*3-5H,1-2H3;2*1-2H3
InChIKeyGGEGLKPXBYRQEW-UHFFFAOYSA-N
MW1103.65 g/mol
LogP16.53
Rot. Bonds8

About ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole

ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158246493) has the molecular formula C52H90N14O4S4 and a molecular weight of 1103.65 g/mol. Its IUPAC name is ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
PubChem CID158246493
Molecular FormulaC52H90N14O4S4
Molecular Weight1103.65 g/mol
Exact Mass1102.62
IUPAC Nameethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC(C)c1cnco1.CC(C)c1cncs1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1
InChIInChI=1S/3C6H10N2O.3C6H10N2S.C6H9NO.C6H9NS.2C2H6/c1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;2*1-5(2)6-3-7-4-8-6;2*1-2/h6*4H,1-3H3;2*3-5H,1-2H3;2*1-2H3
InChIKeyGGEGLKPXBYRQEW-UHFFFAOYSA-N
XLogP16.53
TPSA233.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001103.65
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole (CID 158246493) is ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC(C)c1cnco1.CC(C)c1cncs1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.
What is the InChIKey of ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is GGEGLKPXBYRQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H10N2O.3C6H10N2S.C6H9NO.C6H9NS.2C2H6/c1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;2*1-5(2)6-3-7-4-8-6;2*1-2/h6*4H,1-3H3;2*3-5H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?
ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1103.65 g/mol, XLogP of 16.53, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158246493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).