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

C22H12N2O4S — CID 141270519

IUPAC2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole
SMILESc1coc(-c2c(-c3cccs3)ccc3oc(-c4ccon4)c(-c4ncco4)c23)c1
InChIInChI=1S/C22H12N2O4S/c1-3-15(25-9-1)18-13(17-4-2-12-29-17)5-6-16-19(18)20(22-23-8-11-26-22)21(28-16)14-7-10-27-24-14/h1-12H
InChIKeyAIKIELUPXBBSLO-UHFFFAOYSA-N
MW400.42 g/mol
LogP6.73
Rot. Bonds4

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

2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole (PubChem CID 141270519) has the molecular formula C22H12N2O4S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole
PubChem CID141270519
Molecular FormulaC22H12N2O4S
Molecular Weight400.42 g/mol
Exact Mass400.05
IUPAC Name2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole
SMILESc1coc(-c2c(-c3cccs3)ccc3oc(-c4ccon4)c(-c4ncco4)c23)c1
InChIInChI=1S/C22H12N2O4S/c1-3-15(25-9-1)18-13(17-4-2-12-29-17)5-6-16-19(18)20(22-23-8-11-26-22)21(28-16)14-7-10-27-24-14/h1-12H
InChIKeyAIKIELUPXBBSLO-UHFFFAOYSA-N
XLogP6.73
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.42
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407377
N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446372
2-[[4-(1,2-Oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1-benzofuran-5-yl]methyl]-1,3-oxazole
CID 141170647
5-(Furan-2-yl)-3-(1,3-oxazol-2-yl)-4-thiophen-2-yl-1,2-oxazole
CID 141186209
N-(2-pyridin-4-ylethyl)-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361869
3-(2-phenyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443266
3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(thiophen-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446285
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(thiophen-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446354
N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446371
N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446374
N-(2-pyridin-3-ylethyl)-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446375
N-(pyridin-2-ylmethyl)-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole?
The IUPAC name of 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole (CID 141270519) is 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole is c1coc(-c2c(-c3cccs3)ccc3oc(-c4ccon4)c(-c4ncco4)c23)c1.
What is the InChIKey of 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole?
The InChIKey is AIKIELUPXBBSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O4S/c1-3-15(25-9-1)18-13(17-4-2-12-29-17)5-6-16-19(18)20(22-23-8-11-26-22)21(28-16)14-7-10-27-24-14/h1-12H.
What are the key properties of 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole?
2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole has a molecular weight of 400.42 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-thiophen-2-yl-1-benzofuran-3-yl]-1,3-oxazole is sourced from PubChem (CID 141270519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).