3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole

C35H21N3O3S3 — CID 141099800

IUPAC3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole
SMILESc1coc(N2C(c3cc4ccccc4o3)=C(c3cccs3)C(c3cc4ccccc4s3)=C(c3nccs3)C2c2ccon2)c1
InChIInChI=1S/C35H21N3O3S3/c1-3-9-24-21(7-1)19-25(41-24)34-31(27-11-6-17-42-27)30(28-20-22-8-2-4-10-26(22)44-28)32(35-36-14-18-43-35)33(23-13-16-40-37-23)38(34)29-12-5-15-39-29/h1-20,33H
InChIKeyFKVRRTCXLWUBKT-UHFFFAOYSA-N
MW627.77 g/mol
LogP10.49
Rot. Bonds6

About 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole

3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole (PubChem CID 141099800) has the molecular formula C35H21N3O3S3 and a molecular weight of 627.77 g/mol. Its IUPAC name is 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole
PubChem CID141099800
Molecular FormulaC35H21N3O3S3
Molecular Weight627.77 g/mol
Exact Mass627.07
IUPAC Name3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole
SMILESc1coc(N2C(c3cc4ccccc4o3)=C(c3cccs3)C(c3cc4ccccc4s3)=C(c3nccs3)C2c2ccon2)c1
InChIInChI=1S/C35H21N3O3S3/c1-3-9-24-21(7-1)19-25(41-24)34-31(27-11-6-17-42-27)30(28-20-22-8-2-4-10-26(22)44-28)32(35-36-14-18-43-35)33(23-13-16-40-37-23)38(34)29-12-5-15-39-29/h1-20,33H
InChIKeyFKVRRTCXLWUBKT-UHFFFAOYSA-N
XLogP10.49
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.77
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole with MolForge

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Related Compounds

5-[5-[4-(2-Benzofuranyl)-2-thiazolyl]-2-thienyl]isoxazole
CID 18525668
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
2-[5-(1-benzofuran-2-yl)-6-(1,2-oxazol-3-yl)-7-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole
CID 141270523
3-Methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methylfuro[2,3-b]pyridine;3-methylfuro[3,2-b]pyridine;3-methylthieno[2,3-b]pyridine;3-methylthieno[3,2-b]pyridine
CID 161901243
N-[(5-methylfuran-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361870
N-methyl-N-(pyridin-2-ylmethyl)-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446381
N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446522
N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446542
N-(furan-2-ylmethyl)-2-[6-(4-methylpiperazin-1-yl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide
CID 97446604
N-(furan-2-ylmethyl)-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446632
N-(furan-2-ylmethyl)-2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97526317
N-(furan-2-ylmethyl)-2-[6-(4-methylpiperidin-1-yl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide
CID 97526329

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole?
The IUPAC name of 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole (CID 141099800) is 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole is c1coc(N2C(c3cc4ccccc4o3)=C(c3cccs3)C(c3cc4ccccc4s3)=C(c3nccs3)C2c2ccon2)c1.
What is the InChIKey of 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole?
The InChIKey is FKVRRTCXLWUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O3S3/c1-3-9-24-21(7-1)19-25(41-24)34-31(27-11-6-17-42-27)30(28-20-22-8-2-4-10-26(22)44-28)32(35-36-14-18-43-35)33(23-13-16-40-37-23)38(34)29-12-5-15-39-29/h1-20,33H.
What are the key properties of 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole?
3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole has a molecular weight of 627.77 g/mol, XLogP of 10.49, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole is sourced from PubChem (CID 141099800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).