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

C20H15N3O2 — CID 712921

IUPACN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H15N3O2/c24-18(12-14-6-2-1-3-7-14)22-16-9-4-8-15(13-16)20-23-19-17(25-20)10-5-11-21-19/h1-11,13H,12H2,(H,22,24)
InChIKeyPPEXQJAGOHHQOR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.07
Rot. Bonds4

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

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide (PubChem CID 712921) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
PubChem CID712921
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H15N3O2/c24-18(12-14-6-2-1-3-7-14)22-16-9-4-8-15(13-16)20-23-19-17(25-20)10-5-11-21-19/h1-11,13H,12H2,(H,22,24)
InChIKeyPPEXQJAGOHHQOR-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CA-4948
CID 118224238
Ontazolast
CID 71458
4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
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1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
6-[3-([1,3]oxazolo[4,5-B]pyridin-2-Yl)-2-(Trifluoromethyl)phenoxy]-1-(2,4,6-Trifluorobenzyl)quinazolin-4(1h)-One
CID 58439216
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide (CID 712921) is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is PPEXQJAGOHHQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-18(12-14-6-2-1-3-7-14)22-16-9-4-8-15(13-16)20-23-19-17(25-20)10-5-11-21-19/h1-11,13H,12H2,(H,22,24).
What are the key properties of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 329.36 g/mol, XLogP of 4.07, 4 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]-2-phenylacetamide is sourced from PubChem (CID 712921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).