(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate

C7H9N2O3S- — CID 9484229

IUPAC(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCCc1nnc(S[C@H](C)C(=O)[O-])o1
InChIInChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4(2)6(10)11/h4H,3H2,1-2H3,(H,10,11)/p-1/t4-/m1/s1
InChIKeyACZYJNCJQSTKHQ-SCSAIBSYSA-M
MW201.23 g/mol
LogP-0.14
Rot. Bonds4

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

(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (PubChem CID 9484229) has the molecular formula C7H9N2O3S- and a molecular weight of 201.23 g/mol. Its IUPAC name is (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Name(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
PubChem CID9484229
Molecular FormulaC7H9N2O3S-
Molecular Weight201.23 g/mol
Exact Mass201.03
IUPAC Name(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCCc1nnc(S[C@H](C)C(=O)[O-])o1
InChIInChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4(2)6(10)11/h4H,3H2,1-2H3,(H,10,11)/p-1/t4-/m1/s1
InChIKeyACZYJNCJQSTKHQ-SCSAIBSYSA-M
XLogP-0.14
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7502260
(3S)-3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 95591919
potassium 5-ethyl-1,3,4-oxadiazole-2-carboxylate
CID 155978283
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylpropanamide
CID 102630165
dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 9377617
dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 9377509
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 8708400
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 47132288
(2R)-2-[[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484411
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylpropanamide
CID 102630049
(E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-iodofuran-2-yl)prop-2-enoate
CID 8706140

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The IUPAC name of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (CID 9484229) is (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate is CCc1nnc(S[C@H](C)C(=O)[O-])o1.
What is the InChIKey of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The InChIKey is ACZYJNCJQSTKHQ-SCSAIBSYSA-M. The full InChI is InChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4(2)6(10)11/h4H,3H2,1-2H3,(H,10,11)/p-1/t4-/m1/s1.
What are the key properties of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate has a molecular weight of 201.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 9484229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).