(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide

C18H19N3O3S — CID 92708350

IUPAC(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCOc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-3-15(25-18-21-16-14(24-18)6-5-11-19-16)17(22)20-12-7-9-13(10-8-12)23-4-2/h5-11,15H,3-4H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyFTSVECDKSAUUCJ-OAHLLOKOSA-N
MW357.44 g/mol
LogP4.13
Rot. Bonds7

About (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide

(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide (PubChem CID 92708350) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
PubChem CID92708350
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCOc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-3-15(25-18-21-16-14(24-18)6-5-11-19-16)17(22)20-12-7-9-13(10-8-12)23-4-2/h5-11,15H,3-4H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyFTSVECDKSAUUCJ-OAHLLOKOSA-N
XLogP4.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708370
N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 50792838
2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 46341187
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide
CID 23858541
N-(4-butan-2-ylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587552
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2978758
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)butanamide
CID 23743056
N-(4-ethoxyphenyl)-1,8-naphthyridine-2-carboxamide
CID 177046964
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
CID 20908523
N-(4-ethoxyphenyl)-2-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)sulfanyl]butanamide
CID 53293240
N-(4-ethoxyphenyl)furo[3,2-b]pyridine-2-carboxamide
CID 16906829
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 (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide (CID 92708350) is (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide is CCOc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3o2)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The InChIKey is FTSVECDKSAUUCJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-15(25-18-21-16-14(24-18)6-5-11-19-16)17(22)20-12-7-9-13(10-8-12)23-4-2/h5-11,15H,3-4H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide has a molecular weight of 357.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide is sourced from PubChem (CID 92708350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).