(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide

C25H15Cl2N3O3 — CID 17052743

IUPAC(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C25H15Cl2N3O3/c26-16-5-10-20(27)19(14-16)21-11-8-18(32-21)9-12-23(31)29-17-6-3-15(4-7-17)25-30-24-22(33-25)2-1-13-28-24/h1-14H,(H,29,31)/b12-9+
InChIKeyPYZIMGFTNGAFML-FMIVXFBMSA-N
MW476.32 g/mol
LogP7.11
Rot. Bonds5

About (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide

(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide (PubChem CID 17052743) has the molecular formula C25H15Cl2N3O3 and a molecular weight of 476.32 g/mol. Its IUPAC name is (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide
PubChem CID17052743
Molecular FormulaC25H15Cl2N3O3
Molecular Weight476.32 g/mol
Exact Mass475.05
IUPAC Name(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C25H15Cl2N3O3/c26-16-5-10-20(27)19(14-16)21-11-8-18(32-21)9-12-23(31)29-17-6-3-15(4-7-17)25-30-24-22(33-25)2-1-13-28-24/h1-14H,(H,29,31)/b12-9+
InChIKeyPYZIMGFTNGAFML-FMIVXFBMSA-N
XLogP7.11
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.32
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 1362346
3-[5-(2-nitrophenyl)furan-2-yl]-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]prop-2-enamide
CID 4268018
3-[5-(4-chlorophenyl)furan-2-yl]-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]prop-2-enamide
CID 4024687
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 4025058
(E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6045400
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 5124951
(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17318879
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 3601159
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]prop-2-enamide
CID 17316377
(E)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17318885
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]prop-2-enamide
CID 17336698
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 1363916

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide (CID 17052743) is (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Nc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide?
The InChIKey is PYZIMGFTNGAFML-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H15Cl2N3O3/c26-16-5-10-20(27)19(14-16)21-11-8-18(32-21)9-12-23(31)29-17-6-3-15(4-7-17)25-30-24-22(33-25)2-1-13-28-24/h1-14H,(H,29,31)/b12-9+.
What are the key properties of (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide?
(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide has a molecular weight of 476.32 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 17052743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).