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

C20H13N5O3S2 — CID 140981967

IUPAC2-[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
SMILESc1c[nH]c(S2(c3ccoc3)N=C(c3nccs3)C(c3ccon3)=C2c2ncco2)c1
InChIInChI=1S/C20H13N5O3S2/c1-2-15(21-5-1)30(13-3-8-26-12-13)18(19-22-6-10-27-19)16(14-4-9-28-24-14)17(25-30)20-23-7-11-29-20/h1-12,21H
InChIKeyCEJNQPSBUZTRHT-UHFFFAOYSA-N
MW435.49 g/mol
LogP5.25
Rot. Bonds5

About 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

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 (PubChem CID 140981967) has the molecular formula C20H13N5O3S2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID140981967
Molecular FormulaC20H13N5O3S2
Molecular Weight435.49 g/mol
Exact Mass435.05
IUPAC Name2-[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
SMILESc1c[nH]c(S2(c3ccoc3)N=C(c3nccs3)C(c3ccon3)=C2c2ncco2)c1
InChIInChI=1S/C20H13N5O3S2/c1-2-15(21-5-1)30(13-3-8-26-12-13)18(19-22-6-10-27-19)16(14-4-9-28-24-14)17(25-30)20-23-7-11-29-20/h1-12,21H
InChIKeyCEJNQPSBUZTRHT-UHFFFAOYSA-N
XLogP5.25
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-(1,2-oxazol-3-yl)-2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 136490907
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-(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-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141428487
2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157362507
CID 157371056
CID 157371056
ethane;2-methylfuran;2-methyl-1,3-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 157441369
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;5-methyl-1H-pyrazole;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 157460024
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
2-Methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157871115

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1c[nH]c(S2(c3ccoc3)N=C(c3nccs3)C(c3ccon3)=C2c2ncco2)c1.
What is the InChIKey of 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?
The InChIKey is CEJNQPSBUZTRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O3S2/c1-2-15(21-5-1)30(13-3-8-26-12-13)18(19-22-6-10-27-19)16(14-4-9-28-24-14)17(25-30)20-23-7-11-29-20/h1-12,21H.
What are the key properties of 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?
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 has a molecular weight of 435.49 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140981967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).