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

C18H19N3O4S — CID 92708370

IUPAC(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nc2ncccc2o1)C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-4-15(26-18-21-16-14(25-18)6-5-7-19-16)17(22)20-11-8-12(23-2)10-13(9-11)24-3/h5-10,15H,4H2,1-3H3,(H,20,22)
InChIKeyMUCJDQPLTKPCBX-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.75
Rot. Bonds7

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

(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide (PubChem CID 92708370) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
PubChem CID92708370
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nc2ncccc2o1)C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-4-15(26-18-21-16-14(25-18)6-5-7-19-16)17(22)20-11-8-12(23-2)10-13(9-11)24-3/h5-10,15H,4H2,1-3H3,(H,20,22)
InChIKeyMUCJDQPLTKPCBX-UHFFFAOYSA-N
XLogP3.75
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide with MolForge

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708350
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-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide
CID 23970274
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)butanamide
CID 23743056
N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
CID 23886285
N-(3-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
CID 6622950
N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948841
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23743067
ethyl 4-amino-2-[(2S)-1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 92742761
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
CID 20908523
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2978758

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide (CID 92708370) is (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The canonical SMILES for (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide is CCC(Sc1nc2ncccc2o1)C(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The InChIKey is MUCJDQPLTKPCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-4-15(26-18-21-16-14(25-18)6-5-7-19-16)17(22)20-11-8-12(23-2)10-13(9-11)24-3/h5-10,15H,4H2,1-3H3,(H,20,22).
What are the key properties of (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide has a molecular weight of 373.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide is sourced from PubChem (CID 92708370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).