2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C19H10Cl3N3O2 — CID 1337970

IUPAC2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H10Cl3N3O2/c20-11-4-5-12(14(22)9-11)18(26)24-15-8-10(3-6-13(15)21)19-25-17-16(27-19)2-1-7-23-17/h1-9H,(H,24,26)
InChIKeyOFTDTHMMHPNBPQ-UHFFFAOYSA-N
MW418.67 g/mol
LogP6.10
Rot. Bonds3

About 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1337970) has the molecular formula C19H10Cl3N3O2 and a molecular weight of 418.67 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1337970
Molecular FormulaC19H10Cl3N3O2
Molecular Weight418.67 g/mol
Exact Mass416.98
IUPAC Name2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H10Cl3N3O2/c20-11-4-5-12(14(22)9-11)18(26)24-15-8-10(3-6-13(15)21)19-25-17-16(27-19)2-1-7-23-17/h1-9H,(H,24,26)
InChIKeyOFTDTHMMHPNBPQ-UHFFFAOYSA-N
XLogP6.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide
CID 1284839
3,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337028
2-chloro-N-[[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 17104228
4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 3891570
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334867
2,4-dichloro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1340989
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1143884
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
2,5-dichloro-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 4595462
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 5063065
2-chloro-4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 7106139
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
CID 3874044

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1337970) is 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is OFTDTHMMHPNBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3N3O2/c20-11-4-5-12(14(22)9-11)18(26)24-15-8-10(3-6-13(15)21)19-25-17-16(27-19)2-1-7-23-17/h1-9H,(H,24,26).
What are the key properties of 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 418.67 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1337970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).