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

C26H19N3O3 — CID 1350972

IUPACN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H19N3O3/c30-25(19-9-5-12-22(16-19)31-17-18-7-2-1-3-8-18)28-21-11-4-10-20(15-21)26-29-24-23(32-26)13-6-14-27-24/h1-16H,17H2,(H,28,30)
InChIKeyIISMSHBSKNNVFF-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.72
Rot. Bonds6

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

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide (PubChem CID 1350972) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide
PubChem CID1350972
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H19N3O3/c30-25(19-9-5-12-22(16-19)31-17-18-7-2-1-3-8-18)28-21-11-4-10-20(15-21)26-29-24-23(32-26)13-6-14-27-24/h1-16H,17H2,(H,28,30)
InChIKeyIISMSHBSKNNVFF-UHFFFAOYSA-N
XLogP5.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1215765
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 155518441
N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 3480130
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
4-nitro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 4599218
4-methoxy-3-nitro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1332228
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1361161
3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2292092
2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 1370196
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide (CID 1350972) is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is IISMSHBSKNNVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c30-25(19-9-5-12-22(16-19)31-17-18-7-2-1-3-8-18)28-21-11-4-10-20(15-21)26-29-24-23(32-26)13-6-14-27-24/h1-16H,17H2,(H,28,30).
What are the key properties of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide?
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide has a molecular weight of 421.46 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 1350972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).