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

C23H23N3O2 — CID 4270022

IUPACN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H23N3O2/c27-22(23-11-14-7-15(12-23)9-16(8-14)13-23)25-18-4-1-3-17(10-18)21-26-20-19(28-21)5-2-6-24-20/h1-6,10,14-16H,7-9,11-13H2,(H,25,27)
InChIKeyDUUSQKQZPDYFBY-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.04
Rot. Bonds3

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

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide (PubChem CID 4270022) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide
PubChem CID4270022
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H23N3O2/c27-22(23-11-14-7-15(12-23)9-16(8-14)13-23)25-18-4-1-3-17(10-18)21-26-20-19(28-21)5-2-6-24-20/h1-6,10,14-16H,7-9,11-13H2,(H,25,27)
InChIKeyDUUSQKQZPDYFBY-UHFFFAOYSA-N
XLogP5.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide (CID 4270022) is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
The InChIKey is DUUSQKQZPDYFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(23-11-14-7-15(12-23)9-16(8-14)13-23)25-18-4-1-3-17(10-18)21-26-20-19(28-21)5-2-6-24-20/h1-6,10,14-16H,7-9,11-13H2,(H,25,27).
What are the key properties of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 4270022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).