2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid

C10H14N4O4S — CID 106403160

IUPAC2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)NCc1ncon1
InChIInChI=1S/C10H14N4O4S/c15-9(16)3-7-5-19-2-1-14(7)10(17)11-4-8-12-6-18-13-8/h6-7H,1-5H2,(H,11,17)(H,15,16)
InChIKeyGMUFQMGBAMYWMB-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.17
Rot. Bonds4

About 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid

2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid (PubChem CID 106403160) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid
PubChem CID106403160
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)NCc1ncon1
InChIInChI=1S/C10H14N4O4S/c15-9(16)3-7-5-19-2-1-14(7)10(17)11-4-8-12-6-18-13-8/h6-7H,1-5H2,(H,11,17)(H,15,16)
InChIKeyGMUFQMGBAMYWMB-UHFFFAOYSA-N
XLogP0.17
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid (CID 106403160) is 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)NCc1ncon1.
What is the InChIKey of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is GMUFQMGBAMYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c15-9(16)3-7-5-19-2-1-14(7)10(17)11-4-8-12-6-18-13-8/h6-7H,1-5H2,(H,11,17)(H,15,16).
What are the key properties of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid?
2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 286.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 106403160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).