ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine

C66H161N7O3S — CID 158903167

IUPACethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC1=NCCO1.CC1=NCCS1.CC1=NOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1
InChIInChI=1S/3C6H7N.C4H5NO.2C4H7NO.C4H7NS.7C2H6.18CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;7*1-2;;;;;;;;;;;;;;;;;;/h3*2-5H,1H3;2-3H,1H3;3*2-3H2,1H3;7*1-2H3;18*1H4
InChIKeyJFRYNILYFHHRLW-UHFFFAOYSA-N
MW1133.13 g/mol
LogP26.16
Rot. Bonds

About ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine

ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine (PubChem CID 158903167) has the molecular formula C66H161N7O3S and a molecular weight of 1133.13 g/mol. Its IUPAC name is ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Nameethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
PubChem CID158903167
Molecular FormulaC66H161N7O3S
Molecular Weight1133.13 g/mol
Exact Mass1132.24
IUPAC Nameethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC1=NCCO1.CC1=NCCS1.CC1=NOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1
InChIInChI=1S/3C6H7N.C4H5NO.2C4H7NO.C4H7NS.7C2H6.18CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;7*1-2;;;;;;;;;;;;;;;;;;/h3*2-5H,1H3;2-3H,1H3;3*2-3H2,1H3;7*1-2H3;18*1H4
InChIKeyJFRYNILYFHHRLW-UHFFFAOYSA-N
XLogP26.16
TPSA120.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.13
LogP ≤ 526.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The IUPAC name of ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine (CID 158903167) is ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine.
What is the SMILES notation for ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The canonical SMILES for ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC1=NCCO1.CC1=NCCS1.CC1=NOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1.
What is the InChIKey of ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The InChIKey is JFRYNILYFHHRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C4H5NO.2C4H7NO.C4H7NS.7C2H6.18CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;7*1-2;;;;;;;;;;;;;;;;;;/h3*2-5H,1H3;2-3H,1H3;3*2-3H2,1H3;7*1-2H3;18*1H4.
What are the key properties of ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine has a molecular weight of 1133.13 g/mol, XLogP of 26.16, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 158903167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).