ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate

C10H15NO3S — CID 106920911

IUPACethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
SMILESCCOC(=O)CCSc1nc(C)c(C)o1
InChIInChI=1S/C10H15NO3S/c1-4-13-9(12)5-6-15-10-11-7(2)8(3)14-10/h4-6H2,1-3H3
InChIKeyQIIZCQXPTLZMBE-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.34
Rot. Bonds5

About ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate

ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate (PubChem CID 106920911) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
PubChem CID106920911
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
SMILESCCOC(=O)CCSc1nc(C)c(C)o1
InChIInChI=1S/C10H15NO3S/c1-4-13-9(12)5-6-15-10-11-7(2)8(3)14-10/h4-6H2,1-3H3
InChIKeyQIIZCQXPTLZMBE-UHFFFAOYSA-N
XLogP2.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide
CID 106926298
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide
CID 106926311
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-hydroxycyclohexane-1-carboxylate
CID 106920882
N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922323
methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate
CID 106925447
N-(5-amino-2-fluorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922276
ethyl 3-[(4-methyl-1,3-thiazol-5-yl)sulfanyl]propanoate
CID 91102227
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(ethylamino)-2-methylpentanoic acid
CID 106925390
ethyl 3-[(4,5,6,7-tetrabromo-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 56968173

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
The IUPAC name of ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate (CID 106920911) is ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate is CCOC(=O)CCSc1nc(C)c(C)o1.
What is the InChIKey of ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
The InChIKey is QIIZCQXPTLZMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-13-9(12)5-6-15-10-11-7(2)8(3)14-10/h4-6H2,1-3H3.
What are the key properties of ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate has a molecular weight of 229.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 106920911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).