4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole

C24H37N9O4 — CID 159751299

IUPAC4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
SMILESCN1CCOCC1.Cc1cnco1.Cc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/C5H11NO.C4H6N2.3C4H5NO.C3H5N3/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;2*1-4-2-5-3-6-4;1-6-3-4-2-5-6/h2-5H2,1H3;2-4H,1H3;4*2-3H,1H3
InChIKeyNDRMWHSWJZLUTK-UHFFFAOYSA-N
MW515.62 g/mol
LogP3.13
Rot. Bonds

About 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole

4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole (PubChem CID 159751299) has the molecular formula C24H37N9O4 and a molecular weight of 515.62 g/mol. Its IUPAC name is 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
PubChem CID159751299
Molecular FormulaC24H37N9O4
Molecular Weight515.62 g/mol
Exact Mass515.30
IUPAC Name4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
SMILESCN1CCOCC1.Cc1cnco1.Cc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/C5H11NO.C4H6N2.3C4H5NO.C3H5N3/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;2*1-4-2-5-3-6-4;1-6-3-4-2-5-6/h2-5H2,1H3;2-4H,1H3;4*2-3H,1H3
InChIKeyNDRMWHSWJZLUTK-UHFFFAOYSA-N
XLogP3.13
TPSA139.09 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

1,4-Dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole
CID 158771962
4-Methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole
CID 160695500
Methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
CID 161006760

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole?
The IUPAC name of 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole (CID 159751299) is 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole is CN1CCOCC1.Cc1cnco1.Cc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1.
What is the InChIKey of 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole?
The InChIKey is NDRMWHSWJZLUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H6N2.3C4H5NO.C3H5N3/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;2*1-4-2-5-3-6-4;1-6-3-4-2-5-6/h2-5H2,1H3;2-4H,1H3;4*2-3H,1H3.
What are the key properties of 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole?
4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole has a molecular weight of 515.62 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 159751299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).