N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide

C20H23N3O2S — CID 50792838

IUPACN-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CC)Sc1nc2ncccc2o1
InChIInChI=1S/C20H23N3O2S/c1-4-13-9-7-10-14(5-2)17(13)22-19(24)16(6-3)26-20-23-18-15(25-20)11-8-12-21-18/h7-12,16H,4-6H2,1-3H3,(H,22,24)
InChIKeyXOUPWHHATWSJKA-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.86
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide

N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide (PubChem CID 50792838) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
PubChem CID50792838
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CC)Sc1nc2ncccc2o1
InChIInChI=1S/C20H23N3O2S/c1-4-13-9-7-10-14(5-2)17(13)22-19(24)16(6-3)26-20-23-18-15(25-20)11-8-12-21-18/h7-12,16H,4-6H2,1-3H3,(H,22,24)
InChIKeyXOUPWHHATWSJKA-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 46341187
(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708350
(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708370
N-(2-ethyl-6-methylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948879
(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide
CID 92708345
2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylbutanamide
CID 2891403
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-(2-ethyl-6-methylphenyl)propanamide
CID 23886481
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)butanamide
CID 23743056
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2891360
N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23743068
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide (CID 50792838) is N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide is CCc1cccc(CC)c1NC(=O)C(CC)Sc1nc2ncccc2o1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The InChIKey is XOUPWHHATWSJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-13-9-7-10-14(5-2)17(13)22-19(24)16(6-3)26-20-23-18-15(25-20)11-8-12-21-18/h7-12,16H,4-6H2,1-3H3,(H,22,24).
What are the key properties of N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide has a molecular weight of 369.49 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide is sourced from PubChem (CID 50792838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).