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

C34H79N5O2 — CID 160596538

IUPACethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.CC.Cc1ccncc1.Cc1ccno1.Cc1ccon1.Cn1cccn1
InChIInChI=1S/C6H7N.C4H6N2.2C4H5NO.4C2H6.8CH4/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2;;;;;;;;/h2-5H,1H3;2-4H,1H3;2*2-3H,1H3;4*1-2H3;8*1H4
InChIKeyRDSCPFLEAWTAOP-UHFFFAOYSA-N
MW590.04 g/mol
LogP12.97
Rot. Bonds

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

ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine (PubChem CID 160596538) has the molecular formula C34H79N5O2 and a molecular weight of 590.04 g/mol. Its IUPAC name is ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine.

Molecular Properties

Compound Nameethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine
PubChem CID160596538
Molecular FormulaC34H79N5O2
Molecular Weight590.04 g/mol
Exact Mass589.62
IUPAC Nameethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.CC.Cc1ccncc1.Cc1ccno1.Cc1ccon1.Cn1cccn1
InChIInChI=1S/C6H7N.C4H6N2.2C4H5NO.4C2H6.8CH4/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2;;;;;;;;/h2-5H,1H3;2-4H,1H3;2*2-3H,1H3;4*1-2H3;8*1H4
InChIKeyRDSCPFLEAWTAOP-UHFFFAOYSA-N
XLogP12.97
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.04
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine?
The IUPAC name of ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine (CID 160596538) is ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine.
What is the SMILES notation for ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine?
The canonical SMILES for ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine is C.C.C.C.C.C.C.C.CC.CC.CC.CC.Cc1ccncc1.Cc1ccno1.Cc1ccon1.Cn1cccn1.
What is the InChIKey of ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine?
The InChIKey is RDSCPFLEAWTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H6N2.2C4H5NO.4C2H6.8CH4/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2;;;;;;;;/h2-5H,1H3;2-4H,1H3;2*2-3H,1H3;4*1-2H3;8*1H4.
What are the key properties of ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine?
ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine has a molecular weight of 590.04 g/mol, XLogP of 12.97, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine is sourced from PubChem (CID 160596538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).