butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene

C50H88N10O4 — CID 159469557

IUPACbutane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene
SMILESCC(C)C.CC1CCN(C)CC1.CCCC.C[C@@H]1C[C@@H]1C.Cc1cc(C)on1.Cc1ccc(C)cc1.Cc1cn(C)nn1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/C8H10.C7H15N.2C5H7NO.C5H10.C4H7N3.2C4H6N2O.2C4H10/c2*1-7-3-5-8(2)6-4-7;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-5(4)2;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4(2)3;1-3-4-2/h3-6H,1-2H3;7H,3-6H2,1-2H3;2*3H,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1-2H3;4H,1-3H3;3-4H2,1-2H3/t;;;;4-,5+;;;;;
InChIKeyLVPYQOLYZNIBFJ-GLOGHLSJSA-N
MW893.32 g/mol
LogP12.86
Rot. Bonds1

About butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene

butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene (PubChem CID 159469557) has the molecular formula C50H88N10O4 and a molecular weight of 893.32 g/mol. Its IUPAC name is butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene.

Molecular Properties

Compound Namebutane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene
PubChem CID159469557
Molecular FormulaC50H88N10O4
Molecular Weight893.32 g/mol
Exact Mass892.70
IUPAC Namebutane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene
SMILESCC(C)C.CC1CCN(C)CC1.CCCC.C[C@@H]1C[C@@H]1C.Cc1cc(C)on1.Cc1ccc(C)cc1.Cc1cn(C)nn1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/C8H10.C7H15N.2C5H7NO.C5H10.C4H7N3.2C4H6N2O.2C4H10/c2*1-7-3-5-8(2)6-4-7;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-5(4)2;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4(2)3;1-3-4-2/h3-6H,1-2H3;7H,3-6H2,1-2H3;2*3H,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1-2H3;4H,1-3H3;3-4H2,1-2H3/t;;;;4-,5+;;;;;
InChIKeyLVPYQOLYZNIBFJ-GLOGHLSJSA-N
XLogP12.86
TPSA163.85 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.32
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene with MolForge

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Related Compounds

1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole
CID 159259847
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 130653621
2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
1,4-dimethylcyclohexane;2,5-dimethylfuran;1,4-dimethylpiperidine;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,3-xylene;1,4-xylene
CID 160508575
5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole
CID 159277047
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
3,5-dimethyl-1,2-oxazole;methane
CID 162114046
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole
CID 178018950
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91891759
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063

Frequently Asked Questions

What is the IUPAC name of butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene?
The IUPAC name of butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene (CID 159469557) is butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene.
What is the SMILES notation for butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene?
The canonical SMILES for butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene is CC(C)C.CC1CCN(C)CC1.CCCC.C[C@@H]1C[C@@H]1C.Cc1cc(C)on1.Cc1ccc(C)cc1.Cc1cn(C)nn1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.
What is the InChIKey of butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene?
The InChIKey is LVPYQOLYZNIBFJ-GLOGHLSJSA-N. The full InChI is InChI=1S/C8H10.C7H15N.2C5H7NO.C5H10.C4H7N3.2C4H6N2O.2C4H10/c2*1-7-3-5-8(2)6-4-7;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-5(4)2;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4(2)3;1-3-4-2/h3-6H,1-2H3;7H,3-6H2,1-2H3;2*3H,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1-2H3;4H,1-3H3;3-4H2,1-2H3/t;;;;4-,5+;;;;;.
What are the key properties of butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene?
butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene has a molecular weight of 893.32 g/mol, XLogP of 12.86, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cis-(1S,2R)-1,2-dimethylcyclopropane;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;1,4-dimethyltriazole;2-methylpropane;1,4-xylene is sourced from PubChem (CID 159469557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).