ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C49H92N10O3S2 — CID 158161833

IUPACethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1
InChIInChI=1S/C5H7N.2C4H6N2.3C4H5NO.2C4H5NS.8C2H6/c1-5-2-3-6-4-5;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;8*1-2/h2,4H,3H2,1H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3
InChIKeyFWJCUKZNDGSIMK-UHFFFAOYSA-N
MW933.48 g/mol
LogP16.52
Rot. Bonds

About ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 158161833) has the molecular formula C49H92N10O3S2 and a molecular weight of 933.48 g/mol. Its IUPAC name is ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID158161833
Molecular FormulaC49H92N10O3S2
Molecular Weight933.48 g/mol
Exact Mass932.68
IUPAC Nameethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1
InChIInChI=1S/C5H7N.2C4H6N2.3C4H5NO.2C4H5NS.8C2H6/c1-5-2-3-6-4-5;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;8*1-2/h2,4H,3H2,1H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3
InChIKeyFWJCUKZNDGSIMK-UHFFFAOYSA-N
XLogP16.52
TPSA173.59 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500933.48
LogP ≤ 516.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

Bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole
CID 157058322
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 157203867
ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-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;5-propan-2-yl-1,3-thiazole
CID 157243339
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158031842
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158093654
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 158441078
2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158773188
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-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-1,3-thiazole
CID 158908684
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 158978232
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 159365498
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,3-thiazole
CID 160430107
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 160486402

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 158161833) is ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.
What is the InChIKey of ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is FWJCUKZNDGSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C4H6N2.3C4H5NO.2C4H5NS.8C2H6/c1-5-2-3-6-4-5;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;8*1-2/h2,4H,3H2,1H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3.
What are the key properties of ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 933.48 g/mol, XLogP of 16.52, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 158161833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).