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

C17H11N5OS2 — CID 141081867

IUPAC2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole
SMILESc1csc(-c2[nH]c(-c3ncc[nH]3)c(-c3ncco3)c2-c2nccs2)c1
InChIInChI=1S/C17H11N5OS2/c1-2-10(24-8-1)13-12(17-21-6-9-25-17)11(16-20-5-7-23-16)14(22-13)15-18-3-4-19-15/h1-9,22H,(H,18,19)
InChIKeyRDUFECCNAQHIAL-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.91
Rot. Bonds4

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

2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole (PubChem CID 141081867) has the molecular formula C17H11N5OS2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole
PubChem CID141081867
Molecular FormulaC17H11N5OS2
Molecular Weight365.44 g/mol
Exact Mass365.04
IUPAC Name2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole
SMILESc1csc(-c2[nH]c(-c3ncc[nH]3)c(-c3ncco3)c2-c2nccs2)c1
InChIInChI=1S/C17H11N5OS2/c1-2-10(24-8-1)13-12(17-21-6-9-25-17)11(16-20-5-7-23-16)14(22-13)15-18-3-4-19-15/h1-9,22H,(H,18,19)
InChIKeyRDUFECCNAQHIAL-UHFFFAOYSA-N
XLogP4.91
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 10423093
2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
CID 90687907
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
CID 91291255
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
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-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole
CID 141008273
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-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole
CID 141050931
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole
CID 141050954

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole?
The IUPAC name of 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) is 2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole is c1csc(-c2[nH]c(-c3ncc[nH]3)c(-c3ncco3)c2-c2nccs2)c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole?
The InChIKey is RDUFECCNAQHIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS2/c1-2-10(24-8-1)13-12(17-21-6-9-25-17)11(16-20-5-7-23-16)14(22-13)15-18-3-4-19-15/h1-9,22H,(H,18,19).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole?
2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole has a molecular weight of 365.44 g/mol, XLogP of 4.91, 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-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole is sourced from PubChem (CID 141081867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).