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

C24H23N3O3 — CID 2209066

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-3-16(2)17-8-12-20(13-9-17)29-15-22(28)26-19-10-6-18(7-11-19)24-27-23-21(30-24)5-4-14-25-23/h4-14,16H,3,15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyBNFWQJJMDZSHTJ-INIZCTEOSA-N
MW401.47 g/mol
LogP5.42
Rot. Bonds7

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

2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 2209066) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
PubChem CID2209066
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-3-16(2)17-8-12-20(13-9-17)29-15-22(28)26-19-10-6-18(7-11-19)24-27-23-21(30-24)5-4-14-25-23/h4-14,16H,3,15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyBNFWQJJMDZSHTJ-INIZCTEOSA-N
XLogP5.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide with MolForge

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Related Compounds

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]-2-(4-phenylphenoxy)acetamide
CID 155518441
N-(4-butan-2-ylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587552
2-(4-butan-2-ylphenoxy)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 21167958
2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 1370196
N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 4632264
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1227107

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (CID 2209066) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is BNFWQJJMDZSHTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-16(2)17-8-12-20(13-9-17)29-15-22(28)26-19-10-6-18(7-11-19)24-27-23-21(30-24)5-4-14-25-23/h4-14,16H,3,15H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 2209066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).