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

C20H23N7O2S — CID 157152636

IUPAC1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5N.C4H4S.2C3H4N2.2C3H3NO/c2*1-2-4-5-3-1;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;1-4H;2*1-3H,(H,4,5);2*1-3H
InChIKeyALKXALDJWYVYBP-UHFFFAOYSA-N
MW425.52 g/mol
LogP4.93
Rot. Bonds

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

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene (PubChem CID 157152636) has the molecular formula C20H23N7O2S and a molecular weight of 425.52 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
PubChem CID157152636
Molecular FormulaC20H23N7O2S
Molecular Weight425.52 g/mol
Exact Mass425.16
IUPAC Name1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5N.C4H4S.2C3H4N2.2C3H3NO/c2*1-2-4-5-3-1;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;1-4H;2*1-3H,(H,4,5);2*1-3H
InChIKeyALKXALDJWYVYBP-UHFFFAOYSA-N
XLogP4.93
TPSA125.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
CID 66973871
furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68753727
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole
CID 140979130
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141035146
2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole
CID 141099587
3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157083907
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155
furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene
CID 157227996
furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene
CID 157280044
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

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene (CID 157152636) is 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene.
What is the SMILES notation for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The canonical SMILES for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cocn1.
What is the InChIKey of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The InChIKey is ALKXALDJWYVYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4S.2C3H4N2.2C3H3NO/c2*1-2-4-5-3-1;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;1-4H;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;thiophene?
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene has a molecular weight of 425.52 g/mol, XLogP of 4.93, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene is sourced from PubChem (CID 157152636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).