ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole

C64H128N12O4S2 — CID 159010287

IUPACethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.Cc1noc(C(C)C)n1.c1ccoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C6H11N3.C6H10N2O.C4H4O.5C4H10.2C3H3NO.2C3H3NS.5C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-4(2)6-7-5(3)8-9-6;1-2-4-5-3-1;5*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;5*1-2/h2*4H,1-3H3,(H,7,8,9);4H,1-3H3;1-4H;5*4H,1-3H3;4*1-3H;5*1-2H3
InChIKeyJSKAVQRHIRFMLL-UHFFFAOYSA-N
MW1193.94 g/mol
LogP22.33
Rot. Bonds3

About ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole

ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (PubChem CID 159010287) has the molecular formula C64H128N12O4S2 and a molecular weight of 1193.94 g/mol. Its IUPAC name is ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

Compound Nameethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
PubChem CID159010287
Molecular FormulaC64H128N12O4S2
Molecular Weight1193.94 g/mol
Exact Mass1192.96
IUPAC Nameethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.Cc1noc(C(C)C)n1.c1ccoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C6H11N3.C6H10N2O.C4H4O.5C4H10.2C3H3NO.2C3H3NS.5C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-4(2)6-7-5(3)8-9-6;1-2-4-5-3-1;5*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;5*1-2/h2*4H,1-3H3,(H,7,8,9);4H,1-3H3;1-4H;5*4H,1-3H3;4*1-3H;5*1-2H3
InChIKeyJSKAVQRHIRFMLL-UHFFFAOYSA-N
XLogP22.33
TPSA213.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds3
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.94
LogP ≤ 522.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole with MolForge

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Related Compounds

ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157215772
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157223049
ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene
CID 157234788
ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;1,2-thiazole;1,3-thiazole
CID 157258704
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene
CID 157335902
2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157462384
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;methane;nonakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157502427
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;methane;nonakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157600123
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157619847
2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157729266
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;methane;nonakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157803110
2-[(E)-but-2-enyl]-1,3-oxazole;3-[(E)-but-2-enyl]thiophene;4-[(E)-but-2-enyl]-2H-triazole;3-[(E)-3-methylpent-3-enyl]furan;2-[(E)-pent-3-enyl]-1,3-oxazole;5-[(E)-pent-3-enyl]-2H-tetrazole;2-[(E)-prop-1-enyl]-1,3-thiazole;2-propyl-1H-imidazole;4-propyl-1,2-oxazole;2-propyl-1,3-thiazole
CID 157823993

Frequently Asked Questions

What is the IUPAC name of ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
The IUPAC name of ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (CID 159010287) is ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.
What is the SMILES notation for ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
The canonical SMILES for ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.Cc1noc(C(C)C)n1.c1ccoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
The InChIKey is JSKAVQRHIRFMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11N3.C6H10N2O.C4H4O.5C4H10.2C3H3NO.2C3H3NS.5C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-4(2)6-7-5(3)8-9-6;1-2-4-5-3-1;5*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;5*1-2/h2*4H,1-3H3,(H,7,8,9);4H,1-3H3;1-4H;5*4H,1-3H3;4*1-3H;5*1-2H3.
What are the key properties of ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole has a molecular weight of 1193.94 g/mol, XLogP of 22.33, 3 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 159010287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).