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

C36H63N5O2 — CID 158067436

IUPACethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESCC.CC.CC.CC.CC.CC1=NOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1
InChIInChI=1S/3C6H7N.C4H5NO.C4H7NO.5C2H6/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;1-4-2-3-6-5-4;5*1-2/h3*2-5H,1H3;2-3H,1H3;2-3H2,1H3;5*1-2H3
InChIKeyFLKDUJQYKQBSQA-UHFFFAOYSA-N
MW597.93 g/mol
LogP11.07
Rot. Bonds

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

ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine (PubChem CID 158067436) has the molecular formula C36H63N5O2 and a molecular weight of 597.93 g/mol. Its IUPAC name is ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Nameethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
PubChem CID158067436
Molecular FormulaC36H63N5O2
Molecular Weight597.93 g/mol
Exact Mass597.50
IUPAC Nameethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESCC.CC.CC.CC.CC.CC1=NOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1
InChIInChI=1S/3C6H7N.C4H5NO.C4H7NO.5C2H6/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;1-4-2-3-6-5-4;5*1-2/h3*2-5H,1H3;2-3H,1H3;2-3H2,1H3;5*1-2H3
InChIKeyFLKDUJQYKQBSQA-UHFFFAOYSA-N
XLogP11.07
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.93
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethane;methane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
CID 157067421
Ethane;methane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
CID 157935666
4-Tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane
CID 158685358
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CID 158771075
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CID 158903167
Ethane;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-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
CID 159366247
3-Fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine
CID 159808907
Ethane;methane;5-methyl-2,3-dihydrofuran;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
CID 160581643
Ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
CID 161084016
Ethane;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 161551288
Ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
CID 161984138
5-Tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;methane
CID 162133074

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The IUPAC name of ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine (CID 158067436) is ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine.
What is the SMILES notation for ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The canonical SMILES for ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine is CC.CC.CC.CC.CC.CC1=NOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1.
What is the InChIKey of ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The InChIKey is FLKDUJQYKQBSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C4H5NO.C4H7NO.5C2H6/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;1-4-2-3-6-5-4;5*1-2/h3*2-5H,1H3;2-3H,1H3;2-3H2,1H3;5*1-2H3.
What are the key properties of ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?
ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine has a molecular weight of 597.93 g/mol, XLogP of 11.07, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 158067436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).