1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C15H19N3O6S — CID 47821487

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)c2nnc(C)o2)cc1
InChIInChI=1S/C15H19N3O6S/c1-9(15(19)23-10(2)14-17-16-11(3)24-14)18-25(20,21)13-7-5-12(22-4)6-8-13/h5-10,18H,1-4H3/t9-,10?/m0/s1
InChIKeyQHUKXKXTFDVTBX-RGURZIINSA-N
MW369.40 g/mol
LogP1.36
Rot. Bonds7

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 47821487) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID47821487
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)c2nnc(C)o2)cc1
InChIInChI=1S/C15H19N3O6S/c1-9(15(19)23-10(2)14-17-16-11(3)24-14)18-25(20,21)13-7-5-12(22-4)6-8-13/h5-10,18H,1-4H3/t9-,10?/m0/s1
InChIKeyQHUKXKXTFDVTBX-RGURZIINSA-N
XLogP1.36
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 47821487) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)c2nnc(C)o2)cc1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is QHUKXKXTFDVTBX-RGURZIINSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-9(15(19)23-10(2)14-17-16-11(3)24-14)18-25(20,21)13-7-5-12(22-4)6-8-13/h5-10,18H,1-4H3/t9-,10?/m0/s1.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 369.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 47821487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).