ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate

C10H16N2O3S — CID 106924911

IUPACethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
SMILESCCOC(=O)C(C)(CSc1ncco1)NC
InChIInChI=1S/C10H16N2O3S/c1-4-14-8(13)10(2,11-3)7-16-9-12-5-6-15-9/h5-6,11H,4,7H2,1-3H3
InChIKeyQHMODFDMCKMVHB-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.31
Rot. Bonds6

About ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate

ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate (PubChem CID 106924911) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
PubChem CID106924911
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
SMILESCCOC(=O)C(C)(CSc1ncco1)NC
InChIInChI=1S/C10H16N2O3S/c1-4-14-8(13)10(2,11-3)7-16-9-12-5-6-15-9/h5-6,11H,4,7H2,1-3H3
InChIKeyQHMODFDMCKMVHB-UHFFFAOYSA-N
XLogP1.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 106924910
ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
CID 106924832
2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
CID 106926213
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106924974
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
CID 106924884
ethyl 2-methyl-2-(methylamino)-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 62883525
ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924873
ethyl 3-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)propanoate
CID 107667946
ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
CID 106925058
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
CID 106925063
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide
CID 106924972
ethyl 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)propanoate
CID 62884163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate (CID 106924911) is ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate is CCOC(=O)C(C)(CSc1ncco1)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
The InChIKey is QHMODFDMCKMVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-14-8(13)10(2,11-3)7-16-9-12-5-6-15-9/h5-6,11H,4,7H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate has a molecular weight of 244.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate is sourced from PubChem (CID 106924911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).