(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H16N2O2S — CID 9459484

IUPAC(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)SCc2ccccc2)no1
InChIInChI=1S/C14H16N2O2S/c1-10-8-13(16-18-10)15-14(17)11(2)19-9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeySKTWIFMUYKMXGR-LLVKDONJSA-N
MW276.36 g/mol
LogP3.24
Rot. Bonds5

About (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 9459484) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID9459484
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)SCc2ccccc2)no1
InChIInChI=1S/C14H16N2O2S/c1-10-8-13(16-18-10)15-14(17)11(2)19-9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeySKTWIFMUYKMXGR-LLVKDONJSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-chlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94199759
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55470219
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56809546
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide
CID 42885871
(2S)-2-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 27284466
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
phenacyl 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953628
(2S)-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7935200
(2R)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9476645

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 9459484) is (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2)no1.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is SKTWIFMUYKMXGR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-8-13(16-18-10)15-14(17)11(2)19-9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 276.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 9459484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).