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

C9H13NO3S — CID 106920837

IUPACethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
SMILESCCOC(=O)CCSc1nc(C)co1
InChIInChI=1S/C9H13NO3S/c1-3-12-8(11)4-5-14-9-10-7(2)6-13-9/h6H,3-5H2,1-2H3
InChIKeyCCJAJMJQQNSJLJ-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.03
Rot. Bonds5

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

ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate (PubChem CID 106920837) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
PubChem CID106920837
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Nameethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
SMILESCCOC(=O)CCSc1nc(C)co1
InChIInChI=1S/C9H13NO3S/c1-3-12-8(11)4-5-14-9-10-7(2)6-13-9/h6H,3-5H2,1-2H3
InChIKeyCCJAJMJQQNSJLJ-UHFFFAOYSA-N
XLogP2.03
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920911
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole
CID 106924051
N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922527
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
methyl 2-(methylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106925140
2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
CID 106925128
2-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]but-2-enoic acid
CID 106920850
methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate
CID 106925078
ethyl 3-(2-aminopyrimidin-4-yl)sulfanylpropanoate
CID 166660845
ethyl 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
CID 6401510
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922726

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
The IUPAC name of ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate (CID 106920837) is ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate is CCOC(=O)CCSc1nc(C)co1.
What is the InChIKey of ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
The InChIKey is CCJAJMJQQNSJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-3-12-8(11)4-5-14-9-10-7(2)6-13-9/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate?
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate has a molecular weight of 215.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 106920837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).