bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole

C22H49N3O — CID 161360048

IUPACbis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole
SMILESC.CC.CC.CC(C)(C)C.CC(C)(C)C.Cn1cccn1.c1cnoc1
InChIInChI=1S/2C5H12.C4H6N2.C3H3NO.2C2H6.CH4/c2*1-5(2,3)4;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;/h2*1-4H3;2-4H,1H3;1-3H;2*1-2H3;1H4
InChIKeyVPBAFOAUZNLDSP-UHFFFAOYSA-N
MW371.65 g/mol
LogP7.89
Rot. Bonds

About bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole

bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole (PubChem CID 161360048) has the molecular formula C22H49N3O and a molecular weight of 371.65 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole
PubChem CID161360048
Molecular FormulaC22H49N3O
Molecular Weight371.65 g/mol
Exact Mass371.39
IUPAC Namebis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole
SMILESC.CC.CC.CC(C)(C)C.CC(C)(C)C.Cn1cccn1.c1cnoc1
InChIInChI=1S/2C5H12.C4H6N2.C3H3NO.2C2H6.CH4/c2*1-5(2,3)4;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;/h2*1-4H3;2-4H,1H3;1-3H;2*1-2H3;1H4
InChIKeyVPBAFOAUZNLDSP-UHFFFAOYSA-N
XLogP7.89
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropane;ethane;1,2-oxazole
CID 91551255
2,2-dimethylpropane;1-methylpyrazole
CID 159902213
bis(1-methylpyrazole);ruthenium(3+)
CID 5123364
methanamine;1,2-oxazole
CID 160898363
1,2-oxazole;selane
CID 175571202
potassium;1,2-oxazole;hydroxide
CID 90113516
1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane
CID 161305054
1-tert-butylpyrazole;ethane;methane
CID 159210260
boric acid;1,2-oxazole
CID 158191475
2,2-dimethyl-3H-1-benzofuran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole
CID 160631899
dihydroxy(oxo)phosphanium;1,2-oxazole
CID 159713576
ethane;1-methylimidazole;bis(1-methylpyrazole);1-methylpyrrole
CID 159857565

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole?
The IUPAC name of bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole (CID 161360048) is bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole.
What is the SMILES notation for bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole?
The canonical SMILES for bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole is C.CC.CC.CC(C)(C)C.CC(C)(C)C.Cn1cccn1.c1cnoc1.
What is the InChIKey of bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole?
The InChIKey is VPBAFOAUZNLDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12.C4H6N2.C3H3NO.2C2H6.CH4/c2*1-5(2,3)4;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;/h2*1-4H3;2-4H,1H3;1-3H;2*1-2H3;1H4.
What are the key properties of bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole?
bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole has a molecular weight of 371.65 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole is sourced from PubChem (CID 161360048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).