1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole

C16H19N7O2 — CID 159316656

IUPAC1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5N.2C3H4N2.2C3H3NO/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H,(H,4,5);2*1-3H
InChIKeyLDFKGLDZGBAZLT-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.18
Rot. Bonds

About 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole (PubChem CID 159316656) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
PubChem CID159316656
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5N.2C3H4N2.2C3H3NO/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H,(H,4,5);2*1-3H
InChIKeyLDFKGLDZGBAZLT-UHFFFAOYSA-N
XLogP3.18
TPSA125.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
CID 69716711
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 157152636
furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157189421
furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157214365
1H-imidazole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;tris(1H-1,2,4-triazole);bis(2H-triazole)
CID 157414668
1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 158351390
bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 159334964
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 159505004
furan;bis(1H-imidazole);1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 159611673
ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 161059785
furan;bis(1H-imidazole);bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 161207983
hexakis(2,2-dimethylpropane);1H-imidazole;tris(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole
CID 161643600

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole?
The IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole (CID 159316656) is 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole.
What is the SMILES notation for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole?
The canonical SMILES for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole is c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cnoc1.c1cocn1.
What is the InChIKey of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole?
The InChIKey is LDFKGLDZGBAZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C3H4N2.2C3H3NO/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H,(H,4,5);2*1-3H.
What are the key properties of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole?
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole has a molecular weight of 341.38 g/mol, XLogP of 3.18, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole is sourced from PubChem (CID 159316656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).