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

C23H13Cl2N3O3 — CID 1362346

IUPAC5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C23H13Cl2N3O3/c24-14-5-8-16(17(25)12-14)18-9-10-20(30-18)22(29)27-15-6-3-13(4-7-15)23-28-21-19(31-23)2-1-11-26-21/h1-12H,(H,27,29)
InChIKeyGHLQVAHJOUFABR-UHFFFAOYSA-N
MW450.28 g/mol
LogP6.71
Rot. Bonds4

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

5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 1362346) has the molecular formula C23H13Cl2N3O3 and a molecular weight of 450.28 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
PubChem CID1362346
Molecular FormulaC23H13Cl2N3O3
Molecular Weight450.28 g/mol
Exact Mass449.03
IUPAC Name5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C23H13Cl2N3O3/c24-14-5-8-16(17(25)12-14)18-9-10-20(30-18)22(29)27-15-6-3-13(4-7-15)23-28-21-19(31-23)2-1-11-26-21/h1-12H,(H,27,29)
InChIKeyGHLQVAHJOUFABR-UHFFFAOYSA-N
XLogP6.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.28
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxy-4-nitrophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 18531150
(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
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 5063065
3,6-dichloro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 2032391
5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17110645
5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 17018462
2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337970
5-(4-chlorophenyl)-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17114865
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
2,4-dichloro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1340989
5-(4-bromophenyl)-N-[4-hydroxy-3-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135648661
2,5-dichloro-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 4595462

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 1362346) is 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is GHLQVAHJOUFABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3O3/c24-14-5-8-16(17(25)12-14)18-9-10-20(30-18)22(29)27-15-6-3-13(4-7-15)23-28-21-19(31-23)2-1-11-26-21/h1-12H,(H,27,29).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 450.28 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1362346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).