(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide

C17H17N3O2S — CID 92708345

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Sc2nc3ncccc3o2)c1C
InChIInChI=1S/C17H17N3O2S/c1-10-6-4-7-13(11(10)2)19-16(21)12(3)23-17-20-15-14(22-17)8-5-9-18-15/h4-9,12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyVIHXUCUXWHDDFG-LBPRGKRZSA-N
MW327.41 g/mol
LogP3.96
Rot. Bonds4

About (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide

(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide (PubChem CID 92708345) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide
PubChem CID92708345
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Sc2nc3ncccc3o2)c1C
InChIInChI=1S/C17H17N3O2S/c1-10-6-4-7-13(11(10)2)19-16(21)12(3)23-17-20-15-14(22-17)8-5-9-18-15/h4-9,12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyVIHXUCUXWHDDFG-LBPRGKRZSA-N
XLogP3.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
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(2S)-N-(2-chloro-3-pyridinyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide (CID 92708345) is (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide is Cc1cccc(NC(=O)[C@H](C)Sc2nc3ncccc3o2)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide?
The InChIKey is VIHXUCUXWHDDFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-6-4-7-13(11(10)2)19-16(21)12(3)23-17-20-15-14(22-17)8-5-9-18-15/h4-9,12H,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide?
(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide is sourced from PubChem (CID 92708345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).