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

C18H13N3O3S — CID 141039475

IUPAC2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
SMILESc1c[nH]c(C2=C(c3cccs3)ON(c3ccco3)C2c2ncco2)c1
InChIInChI=1S/C18H13N3O3S/c1-4-12(19-7-1)15-16(18-20-8-10-23-18)21(14-6-2-9-22-14)24-17(15)13-5-3-11-25-13/h1-11,16,19H
InChIKeyOCPNEMPJFGOACE-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.72
Rot. Bonds4

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

2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole (PubChem CID 141039475) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
PubChem CID141039475
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
SMILESc1c[nH]c(C2=C(c3cccs3)ON(c3ccco3)C2c2ncco2)c1
InChIInChI=1S/C18H13N3O3S/c1-4-12(19-7-1)15-16(18-20-8-10-23-18)21(14-6-2-9-22-14)24-17(15)13-5-3-11-25-13/h1-11,16,19H
InChIKeyOCPNEMPJFGOACE-UHFFFAOYSA-N
XLogP4.72
TPSA67.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-furylmethyl)-N-(3-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 46985690
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 140977813
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole
CID 140978070
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
5-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
CID 140986058
2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole
CID 141031455
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole
CID 141060256
4-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-thiazole
CID 141178004
4-(furan-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
CID 141178246
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
5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141189938
5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
CID 141222224

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
The IUPAC name of 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) is 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
The canonical SMILES for 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole is c1c[nH]c(C2=C(c3cccs3)ON(c3ccco3)C2c2ncco2)c1.
What is the InChIKey of 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
The InChIKey is OCPNEMPJFGOACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-4-12(19-7-1)15-16(18-20-8-10-23-18)21(14-6-2-9-22-14)24-17(15)13-5-3-11-25-13/h1-11,16,19H.
What are the key properties of 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole has a molecular weight of 351.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole is sourced from PubChem (CID 141039475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).