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

C21H14N4O3S2 — CID 141428487

IUPAC2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ncco3)N=C(c3ccon3)S2(c2ccco2)c2cccs2)c1
InChIInChI=1S/C21H14N4O3S2/c1-4-14(22-8-1)19-18(20-23-9-12-27-20)24-21(15-7-11-28-25-15)30(19,16-5-2-10-26-16)17-6-3-13-29-17/h1-13,22H
InChIKeyKXRFQXTXKXQIDM-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.85
Rot. Bonds5

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

2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole (PubChem CID 141428487) has the molecular formula C21H14N4O3S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
PubChem CID141428487
Molecular FormulaC21H14N4O3S2
Molecular Weight434.50 g/mol
Exact Mass434.05
IUPAC Name2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ncco3)N=C(c3ccon3)S2(c2ccco2)c2cccs2)c1
InChIInChI=1S/C21H14N4O3S2/c1-4-14(22-8-1)19-18(20-23-9-12-27-20)24-21(15-7-11-28-25-15)30(19,16-5-2-10-26-16)17-6-3-13-29-17/h1-13,22H
InChIKeyKXRFQXTXKXQIDM-UHFFFAOYSA-N
XLogP5.85
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole with MolForge

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Related Compounds

4-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-phenyl-1-(1H-pyrrol-2-yl)-1-thiophen-2-ylthiadiazol-4-yl]oxadiazole
CID 140974804
2-[1-(furan-3-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole
CID 140981967
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 141039475
2-[[1-methyl-2-(1,2-oxazol-3-ylmethyl)-5-(1H-pyrrol-2-ylmethyl)-1-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole
CID 141088242
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
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 141189605
2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 156779601
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157878270
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157878642
ethane;2-methylfuran;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157962371
2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 158368276
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 158511894

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole (CID 141428487) is 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole is c1c[nH]c(C2=C(c3ncco3)N=C(c3ccon3)S2(c2ccco2)c2cccs2)c1.
What is the InChIKey of 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole?
The InChIKey is KXRFQXTXKXQIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3S2/c1-4-14(22-8-1)19-18(20-23-9-12-27-20)24-21(15-7-11-28-25-15)30(19,16-5-2-10-26-16)17-6-3-13-29-17/h1-13,22H.
What are the key properties of 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole?
2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole has a molecular weight of 434.50 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 141428487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).