methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate

C11H16N2O4S — CID 78842879

IUPACmethyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate
SMILESCOC(=O)C(C)SC(C)C(=O)Nc1cc(C)no1
InChIInChI=1S/C11H16N2O4S/c1-6-5-9(17-13-6)12-10(14)7(2)18-8(3)11(15)16-4/h5,7-8H,1-4H3,(H,12,14)
InChIKeyBIZOYKJWJKPIRC-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.60
Rot. Bonds5

About methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate

methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate (PubChem CID 78842879) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate
PubChem CID78842879
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate
SMILESCOC(=O)C(C)SC(C)C(=O)Nc1cc(C)no1
InChIInChI=1S/C11H16N2O4S/c1-6-5-9(17-13-6)12-10(14)7(2)18-8(3)11(15)16-4/h5,7-8H,1-4H3,(H,12,14)
InChIKeyBIZOYKJWJKPIRC-UHFFFAOYSA-N
XLogP1.60
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-(4-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 26028746
2-(2-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 60593777
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 47028191
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 86915899
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30208813
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46687931
(2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 97059760
methyl 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 51108186

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate?
The IUPAC name of methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate (CID 78842879) is methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate.
What is the SMILES notation for methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate?
The canonical SMILES for methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate is COC(=O)C(C)SC(C)C(=O)Nc1cc(C)no1.
What is the InChIKey of methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate?
The InChIKey is BIZOYKJWJKPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6-5-9(17-13-6)12-10(14)7(2)18-8(3)11(15)16-4/h5,7-8H,1-4H3,(H,12,14).
What are the key properties of methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate?
methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate has a molecular weight of 272.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate is sourced from PubChem (CID 78842879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).