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

C20H14BrN3O3 — CID 1370196

IUPAC2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14BrN3O3/c21-14-6-8-16(9-7-14)26-12-18(25)23-15-4-1-3-13(11-15)20-24-19-17(27-20)5-2-10-22-19/h1-11H,12H2,(H,23,25)
InChIKeyQGKDHEZHHKRQRO-UHFFFAOYSA-N
MW424.25 g/mol
LogP4.67
Rot. Bonds5

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

2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 1370196) has the molecular formula C20H14BrN3O3 and a molecular weight of 424.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
PubChem CID1370196
Molecular FormulaC20H14BrN3O3
Molecular Weight424.25 g/mol
Exact Mass423.02
IUPAC Name2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14BrN3O3/c21-14-6-8-16(9-7-14)26-12-18(25)23-15-4-1-3-13(11-15)20-24-19-17(27-20)5-2-10-22-19/h1-11H,12H2,(H,23,25)
InChIKeyQGKDHEZHHKRQRO-UHFFFAOYSA-N
XLogP4.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 54.67
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]-2-(4-phenylphenoxy)acetamide
CID 155518441
N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 3480130
N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 712713
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
2-(2,4-dimethyl-6-nitrophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 1007487
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1227107
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 3161491
N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide
CID 25239404
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 2209066
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1215765

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (CID 1370196) is 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is O=C(COc1ccc(Br)cc1)Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is QGKDHEZHHKRQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O3/c21-14-6-8-16(9-7-14)26-12-18(25)23-15-4-1-3-13(11-15)20-24-19-17(27-20)5-2-10-22-19/h1-11H,12H2,(H,23,25).
What are the key properties of 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 424.25 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 1370196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).