2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole

C17H11N5O2S — CID 141041729

IUPAC2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2[nH]c(-c3ccsc3)c(-c3ccon3)c2-c2ncco2)n1
InChIInChI=1S/C17H11N5O2S/c1-6-24-22-11(1)12-13(17-20-5-7-23-17)15(16-18-3-4-19-16)21-14(12)10-2-8-25-9-10/h1-9,21H,(H,18,19)
InChIKeyDBCFLNYXPRNVMA-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.44
Rot. Bonds4

About 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole

2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole (PubChem CID 141041729) has the molecular formula C17H11N5O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole
PubChem CID141041729
Molecular FormulaC17H11N5O2S
Molecular Weight349.38 g/mol
Exact Mass349.06
IUPAC Name2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2[nH]c(-c3ccsc3)c(-c3ccon3)c2-c2ncco2)n1
InChIInChI=1S/C17H11N5O2S/c1-6-24-22-11(1)12-13(17-20-5-7-23-17)15(16-18-3-4-19-16)21-14(12)10-2-8-25-9-10/h1-9,21H,(H,18,19)
InChIKeyDBCFLNYXPRNVMA-UHFFFAOYSA-N
XLogP4.44
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-[5-[4-[3-[4-(1,3-Thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole
CID 54015368
3-[3-[4-(Furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 90766371
4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
CID 136502515
4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole
CID 136509959
2-[2-[2-[3-[4-(1H-pyrazol-5-yl)-1,2-thiazol-5-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-oxazole
CID 136654843
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653
2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole
CID 140973569
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
CID 140977273
2-[6-benzyl-6-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 140986989
2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
CID 140989081
2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole
CID 140993856

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole (CID 141041729) is 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole is c1c[nH]c(-c2[nH]c(-c3ccsc3)c(-c3ccon3)c2-c2ncco2)n1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole?
The InChIKey is DBCFLNYXPRNVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2S/c1-6-24-22-11(1)12-13(17-20-5-7-23-17)15(16-18-3-4-19-16)21-14(12)10-2-8-25-9-10/h1-9,21H,(H,18,19).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole?
2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole has a molecular weight of 349.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole is sourced from PubChem (CID 141041729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).