1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole

C20H23N11O3S — CID 160895618

IUPAC1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/C4H5N.2C3H4N2.C3H3NO.C3H3NS.2C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-5H;2*1-3H,(H,4,5);2*1-3H;2*1-2H
InChIKeySOVKUANHGHPUHV-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.79
Rot. Bonds

About 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole

1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole (PubChem CID 160895618) has the molecular formula C20H23N11O3S and a molecular weight of 497.55 g/mol. Its IUPAC name is 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Name1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
PubChem CID160895618
Molecular FormulaC20H23N11O3S
Molecular Weight497.55 g/mol
Exact Mass497.17
IUPAC Name1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/C4H5N.2C3H4N2.C3H3NO.C3H3NS.2C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-5H;2*1-3H,(H,4,5);2*1-3H;2*1-2H
InChIKeySOVKUANHGHPUHV-UHFFFAOYSA-N
XLogP3.79
TPSA189.91 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.55
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

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2-N-[(1H-imidazol-2-ylamino)-[4-(1H-pyrrol-2-ylamino)-1H-pyrazol-3-yl]amino]-4-N-(1H-tetrazol-5-yl)-2-N-(1,3-thiazol-2-ylamino)-5-N-(1H-triazol-4-yl)-1,3-oxazole-2,4,5-triamine
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bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
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bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole
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CID 158334274

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The IUPAC name of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole (CID 160895618) is 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole.
What is the SMILES notation for 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The canonical SMILES for 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole is c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1ncon1.c1nnco1.
What is the InChIKey of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The InChIKey is SOVKUANHGHPUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C3H4N2.C3H3NO.C3H3NS.2C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-5H;2*1-3H,(H,4,5);2*1-3H;2*1-2H.
What are the key properties of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole has a molecular weight of 497.55 g/mol, XLogP of 3.79, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 160895618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).