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

C16H10N6O2S — CID 136509959

IUPAC4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole
SMILESc1c[nH]c(-c2cnc(-c3scc(-c4ncco4)c3-c3conn3)[nH]2)c1
InChIInChI=1S/C16H10N6O2S/c1-2-10(17-3-1)11-6-19-15(20-11)14-13(12-7-24-22-21-12)9(8-25-14)16-18-4-5-23-16/h1-8,17H,(H,19,20)
InChIKeyFAWRLGRTPIQUOC-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.84
Rot. Bonds4

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

4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole (PubChem CID 136509959) has the molecular formula C16H10N6O2S and a molecular weight of 350.36 g/mol. Its IUPAC name is 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole.

Molecular Properties

Compound Name4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole
PubChem CID136509959
Molecular FormulaC16H10N6O2S
Molecular Weight350.36 g/mol
Exact Mass350.06
IUPAC Name4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole
SMILESc1c[nH]c(-c2cnc(-c3scc(-c4ncco4)c3-c3conn3)[nH]2)c1
InChIInChI=1S/C16H10N6O2S/c1-2-10(17-3-1)11-6-19-15(20-11)14-13(12-7-24-22-21-12)9(8-25-14)16-18-4-5-23-16/h1-8,17H,(H,19,20)
InChIKeyFAWRLGRTPIQUOC-UHFFFAOYSA-N
XLogP3.84
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
2-[2-[5-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136170764
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
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
2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole
CID 141081867
4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole
CID 141091541
2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141107824

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole?
The IUPAC name of 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole (CID 136509959) is 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole.
What is the SMILES notation for 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole?
The canonical SMILES for 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole is c1c[nH]c(-c2cnc(-c3scc(-c4ncco4)c3-c3conn3)[nH]2)c1.
What is the InChIKey of 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole?
The InChIKey is FAWRLGRTPIQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O2S/c1-2-10(17-3-1)11-6-19-15(20-11)14-13(12-7-24-22-21-12)9(8-25-14)16-18-4-5-23-16/h1-8,17H,(H,19,20).
What are the key properties of 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole?
4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole has a molecular weight of 350.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole is sourced from PubChem (CID 136509959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).