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

C19H12IN3O2 — CID 1215765

IUPAC4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(I)cc1
InChIInChI=1S/C19H12IN3O2/c20-14-8-6-12(7-9-14)18(24)22-15-4-1-3-13(11-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24)
InChIKeyCWIJMXCRPKYNCO-UHFFFAOYSA-N
MW441.23 g/mol
LogP4.75
Rot. Bonds3

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

4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1215765) has the molecular formula C19H12IN3O2 and a molecular weight of 441.23 g/mol. Its IUPAC name is 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1215765
Molecular FormulaC19H12IN3O2
Molecular Weight441.23 g/mol
Exact Mass441.00
IUPAC Name4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(I)cc1
InChIInChI=1S/C19H12IN3O2/c20-14-8-6-12(7-9-14)18(24)22-15-4-1-3-13(11-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24)
InChIKeyCWIJMXCRPKYNCO-UHFFFAOYSA-N
XLogP4.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 4599218
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1361161
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 1350972
4-methoxy-3-nitro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1332228
2-chloro-4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 7106139
3,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337028
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide
CID 4270022
4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 3891570
4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680112
N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 1048116
3,4,5-triethoxy-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 3509016

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1215765) is 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is CWIJMXCRPKYNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12IN3O2/c20-14-8-6-12(7-9-14)18(24)22-15-4-1-3-13(11-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24).
What are the key properties of 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 441.23 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1215765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).