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

C23H12Cl3N3O3 — CID 5063065

IUPACN-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C23H12Cl3N3O3/c24-14-7-6-12(23-29-21-18(32-23)5-2-10-27-21)11-16(14)28-22(30)19-9-8-17(31-19)13-3-1-4-15(25)20(13)26/h1-11H,(H,28,30)
InChIKeyAYYWJFQCNLZZHK-UHFFFAOYSA-N
MW484.73 g/mol
LogP7.36
Rot. Bonds4

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

N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 5063065) has the molecular formula C23H12Cl3N3O3 and a molecular weight of 484.73 g/mol. Its IUPAC name is N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID5063065
Molecular FormulaC23H12Cl3N3O3
Molecular Weight484.73 g/mol
Exact Mass482.99
IUPAC NameN-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C23H12Cl3N3O3/c24-14-7-6-12(23-29-21-18(32-23)5-2-10-27-21)11-16(14)28-22(30)19-9-8-17(31-19)13-3-1-4-15(25)20(13)26/h1-11H,(H,28,30)
InChIKeyAYYWJFQCNLZZHK-UHFFFAOYSA-N
XLogP7.36
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dichlorophenyl)-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 2066774
3,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337028
4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 3891570
2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337970
5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 1362346
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334867
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide
CID 1284839
3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2292092
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1143884
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 4020168
5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 17018462

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 5063065) is N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is AYYWJFQCNLZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl3N3O3/c24-14-7-6-12(23-29-21-18(32-23)5-2-10-27-21)11-16(14)28-22(30)19-9-8-17(31-19)13-3-1-4-15(25)20(13)26/h1-11H,(H,28,30).
What are the key properties of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 484.73 g/mol, XLogP of 7.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 5063065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).