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

C25H23N3O3 — CID 22587197

IUPACN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C25H23N3O3/c1-30-20-12-11-17(23-28-22-21(31-23)10-7-15-26-22)16-19(20)27-24(29)25(13-5-6-14-25)18-8-3-2-4-9-18/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,27,29)
InChIKeyJLZAMLRKUUHJLF-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.35
Rot. Bonds5

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

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 22587197) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID22587197
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C25H23N3O3/c1-30-20-12-11-17(23-28-22-21(31-23)10-7-15-26-22)16-19(20)27-24(29)25(13-5-6-14-25)18-8-3-2-4-9-18/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,27,29)
InChIKeyJLZAMLRKUUHJLF-UHFFFAOYSA-N
XLogP5.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide
CID 46991011
2-(4-chlorophenyl)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 6497000
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 71965790
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 18524792
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 6497027
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 25239444
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
3-chloro-4-ethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17162544

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide (CID 22587197) is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide is COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is JLZAMLRKUUHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-20-12-11-17(23-28-22-21(31-23)10-7-15-26-22)16-19(20)27-24(29)25(13-5-6-14-25)18-8-3-2-4-9-18/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,27,29).
What are the key properties of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 22587197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).