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

C29H57N9O4 — CID 161006760

IUPACmethane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
SMILESC.C.C.C.C.CN1CCOCC1.Cc1cnco1.Cc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/C5H11NO.C4H6N2.3C4H5NO.C3H5N3.5CH4/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;5*1H4
InChIKeyTWPHPXJGHIPLMF-UHFFFAOYSA-N
MW595.83 g/mol
LogP6.31
Rot. Bonds

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

methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole (PubChem CID 161006760) has the molecular formula C29H57N9O4 and a molecular weight of 595.83 g/mol. Its IUPAC name is methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Namemethane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
PubChem CID161006760
Molecular FormulaC29H57N9O4
Molecular Weight595.83 g/mol
Exact Mass595.45
IUPAC Namemethane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
SMILESC.C.C.C.C.CN1CCOCC1.Cc1cnco1.Cc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/C5H11NO.C4H6N2.3C4H5NO.C3H5N3.5CH4/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;5*1H4
InChIKeyTWPHPXJGHIPLMF-UHFFFAOYSA-N
XLogP6.31
TPSA139.09 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500595.83
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-Methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
CID 159751299
4-Methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole
CID 160695500

Frequently Asked Questions

What is the IUPAC name of methane;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 methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole (CID 161006760) is methane;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 methane;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 methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole is C.C.C.C.C.CN1CCOCC1.Cc1cnco1.Cc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1.
What is the InChIKey of methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole?
The InChIKey is TWPHPXJGHIPLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H6N2.3C4H5NO.C3H5N3.5CH4/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;5*1H4.
What are the key properties of methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole?
methane;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 595.83 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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 161006760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).