ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole

C55H105N9O6 — CID 163758579

IUPACethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1
InChIInChI=1S/6C6H9NO.C5H9N3.7C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;7*1-2/h6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);7*1-2H3
InChIKeyLWEQOPCELHHZKK-UHFFFAOYSA-N
MW988.50 g/mol
LogP18.90
Rot. Bonds7

About ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole

ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 163758579) has the molecular formula C55H105N9O6 and a molecular weight of 988.50 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID163758579
Molecular FormulaC55H105N9O6
Molecular Weight988.50 g/mol
Exact Mass987.82
IUPAC Nameethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1
InChIInChI=1S/6C6H9NO.C5H9N3.7C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;7*1-2/h6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);7*1-2H3
InChIKeyLWEQOPCELHHZKK-UHFFFAOYSA-N
XLogP18.90
TPSA197.75 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500988.50
LogP ≤ 518.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

3-Tert-butyl-1-methyl-1,2,4-triazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-tert-butyl-4-(trifluoromethoxy)-1,2,5-thiadiazole
CID 158675568
5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
CID 157310136
2-Tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane;4-methyl-1,3-oxazole
CID 157440026
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
CID 157480726
5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole
CID 157547643
2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole;methane
CID 157611191
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157757038
5-tert-butyl-2-ethynyl-1H-imidazole;5-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;4-tert-butyl-5-ethynyl-2H-pyrrole;bis(5-tert-butyl-2-ethynyl-3H-pyrrole)
CID 157777961
3-Tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane
CID 157783321
4-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-3H-pyrrole;3-tert-butyl-5-methyl-1H-pyrazole
CID 157785991
1-tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;1-tert-butyl-2H-pyrrol-5-one
CID 157882114
2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole
CID 158004811

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole (CID 163758579) is ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is LWEQOPCELHHZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H9NO.C5H9N3.7C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;7*1-2/h6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);7*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole?
ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 988.50 g/mol, XLogP of 18.90, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 163758579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).