(2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

C15H19N5O4S — CID 129416460

IUPAC(2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCSCC[C@H](NC(C)=O)C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1
InChIInChI=1S/C15H19N5O4S/c1-9(21)18-11(4-6-25-2)15(23)17-8-13-19-14(20-24-13)10-3-5-16-12(22)7-10/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,22)(H,17,23)(H,18,21)/t11-/m0/s1
InChIKeyCYIOQEBFYIYEND-NSHDSACASA-N
MW365.42 g/mol
LogP0.30
Rot. Bonds8

About (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

(2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (PubChem CID 129416460) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
PubChem CID129416460
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name(2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCSCC[C@H](NC(C)=O)C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1
InChIInChI=1S/C15H19N5O4S/c1-9(21)18-11(4-6-25-2)15(23)17-8-13-19-14(20-24-13)10-3-5-16-12(22)7-10/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,22)(H,17,23)(H,18,21)/t11-/m0/s1
InChIKeyCYIOQEBFYIYEND-NSHDSACASA-N
XLogP0.30
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91818700
4-chloro-1-ethyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 91818673
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818686
(Z)-3-(2-fluorophenyl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91818722
2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818678
(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide
CID 129418249
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide
CID 91818692
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
methyl 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylsulfanylbutanoate
CID 51065027
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
CID 132653294
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The IUPAC name of (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (CID 129416460) is (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is CSCC[C@H](NC(C)=O)C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1.
What is the InChIKey of (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The InChIKey is CYIOQEBFYIYEND-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-9(21)18-11(4-6-25-2)15(23)17-8-13-19-14(20-24-13)10-3-5-16-12(22)7-10/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,22)(H,17,23)(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
(2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide has a molecular weight of 365.42 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 129416460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).