ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate

C10H16N2O3S — CID 106924873

IUPACethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
SMILESCCNC(CSc1ncco1)C(=O)OCC
InChIInChI=1S/C10H16N2O3S/c1-3-11-8(9(13)14-4-2)7-16-10-12-5-6-15-10/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeySGIXZDUPTXDJQV-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.31
Rot. Bonds7

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

ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate (PubChem CID 106924873) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
PubChem CID106924873
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
SMILESCCNC(CSc1ncco1)C(=O)OCC
InChIInChI=1S/C10H16N2O3S/c1-3-11-8(9(13)14-4-2)7-16-10-12-5-6-15-10/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeySGIXZDUPTXDJQV-UHFFFAOYSA-N
XLogP1.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
The IUPAC name of ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate (CID 106924873) is ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
The canonical SMILES for ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate is CCNC(CSc1ncco1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
The InChIKey is SGIXZDUPTXDJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-11-8(9(13)14-4-2)7-16-10-12-5-6-15-10/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate?
ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate has a molecular weight of 244.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate is sourced from PubChem (CID 106924873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).