ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine

C88H168N18O3S3 — CID 157313290

IUPACethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn[nH]c1.CC(C)c1cnncn1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccnn1
InChIInChI=1S/2C6H9N3.3C6H10N2.3C6H9NO.3C6H9NS.11C2H6/c1-5(2)6-3-8-9-4-7-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-5H,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;11*1-2H3
InChIKeyBDHDEUXCTUAEIS-UHFFFAOYSA-N
MW1622.64 g/mol
LogP30.07
Rot. Bonds11

About ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine

ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine (PubChem CID 157313290) has the molecular formula C88H168N18O3S3 and a molecular weight of 1622.64 g/mol. Its IUPAC name is ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Nameethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine
PubChem CID157313290
Molecular FormulaC88H168N18O3S3
Molecular Weight1622.64 g/mol
Exact Mass1621.27
IUPAC Nameethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn[nH]c1.CC(C)c1cnncn1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccnn1
InChIInChI=1S/2C6H9N3.3C6H10N2.3C6H9NO.3C6H9NS.11C2H6/c1-5(2)6-3-8-9-4-7-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-5H,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;11*1-2H3
InChIKeyBDHDEUXCTUAEIS-UHFFFAOYSA-N
XLogP30.07
TPSA280.14 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001622.64
LogP ≤ 530.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine with MolForge

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Launch Full Analysis

Related Compounds

cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;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;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158161280
cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;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-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 159595611
bis(2-propan-2-ylfuran);3-propan-2-ylfuran;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;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
CID 161107502
3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole
CID 160581370
ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 161008290
1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene
CID 158903584
2-isocyano-5-propan-2-ylthiophene;1-methyl-4-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 159756568
ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole
CID 163667438
cumene;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158764841
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 167622722
3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;methane;5-propan-2-yl-1,2-thiazole
CID 161272642
methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158336105

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?
The IUPAC name of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine (CID 157313290) is ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn[nH]c1.CC(C)c1cnncn1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccnn1.
What is the InChIKey of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?
The InChIKey is BDHDEUXCTUAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N3.3C6H10N2.3C6H9NO.3C6H9NS.11C2H6/c1-5(2)6-3-8-9-4-7-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-5H,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;11*1-2H3.
What are the key properties of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?
ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine has a molecular weight of 1622.64 g/mol, XLogP of 30.07, 11 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 157313290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).