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

C16H13N3O3S — CID 20939901

IUPACN-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc3ncccc3o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-10(20)11-4-6-12(7-5-11)18-14(21)9-23-16-19-15-13(22-16)3-2-8-17-15/h2-8H,9H2,1H3,(H,18,21)
InChIKeyZYKHSMUUUYVAMA-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.16
Rot. Bonds5

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

N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 20939901) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID20939901
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc3ncccc3o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-10(20)11-4-6-12(7-5-11)18-14(21)9-23-16-19-15-13(22-16)3-2-8-17-15/h2-8H,9H2,1H3,(H,18,21)
InChIKeyZYKHSMUUUYVAMA-UHFFFAOYSA-N
XLogP3.16
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587560
N-(4-butan-2-ylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587552
N-(3-chlorophenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948919
1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea
CID 10760923
N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948841
N-(2-ethyl-6-methylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948879
N-(4-acetylphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214197
N-[(E)-(4-nitrophenyl)methylideneamino]-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 10594491
N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1147332
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412
N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 162679127
N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92644901

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 20939901) is N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is CC(=O)c1ccc(NC(=O)CSc2nc3ncccc3o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is ZYKHSMUUUYVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-10(20)11-4-6-12(7-5-11)18-14(21)9-23-16-19-15-13(22-16)3-2-8-17-15/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 327.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 20939901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).