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

C22H18ClN3O4 — CID 17220610

IUPACN-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C22H18ClN3O4/c1-13-5-7-15(8-6-13)29-12-19(27)25-17-11-14(10-16(23)20(17)28-2)22-26-21-18(30-22)4-3-9-24-21/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyCQNCMFMMYKHGKI-UHFFFAOYSA-N
MW423.86 g/mol
LogP4.88
Rot. Bonds6

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

N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 17220610) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID17220610
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC NameN-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C22H18ClN3O4/c1-13-5-7-15(8-6-13)29-12-19(27)25-17-11-14(10-16(23)20(17)28-2)22-26-21-18(30-22)4-3-9-24-21/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyCQNCMFMMYKHGKI-UHFFFAOYSA-N
XLogP4.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1227107
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 1338199
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 6497027
2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 18524792
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)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 712713
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 155518441
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 2209066

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (CID 17220610) is N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is CQNCMFMMYKHGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c1-13-5-7-15(8-6-13)29-12-19(27)25-17-11-14(10-16(23)20(17)28-2)22-26-21-18(30-22)4-3-9-24-21/h3-11H,12H2,1-2H3,(H,25,27).
What are the key properties of N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 423.86 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 17220610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).