N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C15H13N3O3S — CID 20948841

IUPACN-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc2ncccc2o1
InChIInChI=1S/C15H13N3O3S/c1-20-11-6-3-2-5-10(11)17-13(19)9-22-15-18-14-12(21-15)7-4-8-16-14/h2-8H,9H2,1H3,(H,17,19)
InChIKeyICRJRUQVVOCMGU-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.96
Rot. Bonds5

About N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 20948841) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID20948841
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc2ncccc2o1
InChIInChI=1S/C15H13N3O3S/c1-20-11-6-3-2-5-10(11)17-13(19)9-22-15-18-14-12(21-15)7-4-8-16-14/h2-8H,9H2,1H3,(H,17,19)
InChIKeyICRJRUQVVOCMGU-UHFFFAOYSA-N
XLogP2.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2379808
N-(4-tert-butylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587560
N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20939901
N-(3-chlorophenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948919
N-(4-butan-2-ylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587552
N-(2-ethyl-6-methylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948879
N-(2-methoxyphenyl)-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 20879263
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea
CID 10760923
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 26876968
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9438955
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9006277

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 20948841) is N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is COc1ccccc1NC(=O)CSc1nc2ncccc2o1.
What is the InChIKey of N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is ICRJRUQVVOCMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-11-6-3-2-5-10(11)17-13(19)9-22-15-18-14-12(21-15)7-4-8-16-14/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 20948841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).