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

C22H18BrN3O3 — CID 30308501

IUPAC2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C22H18BrN3O3/c1-22(2,29-17-11-7-15(23)8-12-17)21(27)25-16-9-5-14(6-10-16)20-26-19-18(28-20)4-3-13-24-19/h3-13H,1-2H3,(H,25,27)
InChIKeyKBGKDTCQCNQMQG-UHFFFAOYSA-N
MW452.31 g/mol
LogP5.45
Rot. Bonds5

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

2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 30308501) has the molecular formula C22H18BrN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
PubChem CID30308501
Molecular FormulaC22H18BrN3O3
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC Name2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C22H18BrN3O3/c1-22(2,29-17-11-7-15(23)8-12-17)21(27)25-16-9-5-14(6-10-16)20-26-19-18(28-20)4-3-13-24-19/h3-13H,1-2H3,(H,25,27)
InChIKeyKBGKDTCQCNQMQG-UHFFFAOYSA-N
XLogP5.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 3302133
2-(4-bromophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 17098762
2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 30308461
2-(4-bromophenoxy)-2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17313544
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
2-(4-bromophenoxy)-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17274584
N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 712713
2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 1370196
2-(4-bromophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163406
2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide
CID 2993852
3,5-dimethoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1207670
2-(4-bromophenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 17092504

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (CID 30308501) is 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is KBGKDTCQCNQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3/c1-22(2,29-17-11-7-15(23)8-12-17)21(27)25-16-9-5-14(6-10-16)20-26-19-18(28-20)4-3-13-24-19/h3-13H,1-2H3,(H,25,27).
What are the key properties of 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 452.31 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 30308501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).