5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole

C25H18N4O2 — CID 140984436

IUPAC5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole
SMILESC1=C(c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)OCN1c1ccccn1
InChIInChI=1S/C25H18N4O2/c1-2-10-26-25(6-1)28-14-24(31-17-28)19-4-3-5-21(12-19)29-16-27-22-13-18(7-8-23(22)29)20-9-11-30-15-20/h1-16H,17H2
InChIKeyHRWAJKHNQCPTGT-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.47
Rot. Bonds4

About 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole

5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole (PubChem CID 140984436) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole.

Molecular Properties

Compound Name5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole
PubChem CID140984436
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole
SMILESC1=C(c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)OCN1c1ccccn1
InChIInChI=1S/C25H18N4O2/c1-2-10-26-25(6-1)28-14-24(31-17-28)19-4-3-5-21(12-19)29-16-27-22-13-18(7-8-23(22)29)20-9-11-30-15-20/h1-16H,17H2
InChIKeyHRWAJKHNQCPTGT-UHFFFAOYSA-N
XLogP5.47
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole?
The IUPAC name of 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole (CID 140984436) is 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole.
What is the SMILES notation for 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole?
The canonical SMILES for 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole is C1=C(c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)OCN1c1ccccn1.
What is the InChIKey of 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole?
The InChIKey is HRWAJKHNQCPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-2-10-26-25(6-1)28-14-24(31-17-28)19-4-3-5-21(12-19)29-16-27-22-13-18(7-8-23(22)29)20-9-11-30-15-20/h1-16H,17H2.
What are the key properties of 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole?
5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole has a molecular weight of 406.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]-3-pyridin-2-yl-2H-1,3-oxazole is sourced from PubChem (CID 140984436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).