bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole

C16H31N3O — CID 160938020

IUPACbis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole
SMILESC1=NC=NC1.CC(C)(C)C.CC(C)(C)C.c1cocn1
InChIInChI=1S/2C5H12.C3H4N2.C3H3NO/c2*1-5(2,3)4;2*1-2-5-3-4-1/h2*1-4H3;1,3H,2H2;1-3H
InChIKeySUDAUDBILOBNGC-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.88
Rot. Bonds

About bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole

bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole (PubChem CID 160938020) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole
PubChem CID160938020
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Namebis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole
SMILESC1=NC=NC1.CC(C)(C)C.CC(C)(C)C.c1cocn1
InChIInChI=1S/2C5H12.C3H4N2.C3H3NO/c2*1-5(2,3)4;2*1-2-5-3-4-1/h2*1-4H3;1,3H,2H2;1-3H
InChIKeySUDAUDBILOBNGC-UHFFFAOYSA-N
XLogP4.88
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)
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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole?
The IUPAC name of bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole (CID 160938020) is bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole.
What is the SMILES notation for bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole?
The canonical SMILES for bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole is C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.c1cocn1.
What is the InChIKey of bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole?
The InChIKey is SUDAUDBILOBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12.C3H4N2.C3H3NO/c2*1-5(2,3)4;2*1-2-5-3-4-1/h2*1-4H3;1,3H,2H2;1-3H.
What are the key properties of bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole?
bis(2,2-dimethylpropane);4H-imidazole;1,3-oxazole has a molecular weight of 281.44 g/mol, XLogP of 4.88, 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);4H-imidazole;1,3-oxazole is sourced from PubChem (CID 160938020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).