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

C14H17N3O6S — CID 55928356

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nnc(C)o2)cc1
InChIInChI=1S/C14H17N3O6S/c1-9(14(18)22-8-13-16-15-10(2)23-13)17-24(19,20)12-6-4-11(21-3)5-7-12/h4-7,9,17H,8H2,1-3H3/t9-/m0/s1
InChIKeyFGBIIZUKBJICLG-VIFPVBQESA-N
MW355.37 g/mol
LogP0.80
Rot. Bonds7

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

(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 55928356) has the molecular formula C14H17N3O6S and a molecular weight of 355.37 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID55928356
Molecular FormulaC14H17N3O6S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nnc(C)o2)cc1
InChIInChI=1S/C14H17N3O6S/c1-9(14(18)22-8-13-16-15-10(2)23-13)17-24(19,20)12-6-4-11(21-3)5-7-12/h4-7,9,17H,8H2,1-3H3/t9-/m0/s1
InChIKeyFGBIIZUKBJICLG-VIFPVBQESA-N
XLogP0.80
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 97009361
N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 125422395
3-Fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107914999
2,3-Difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915010
3,5-Difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915016
3-Fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 114015405
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 70495054
(2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843088
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 47821487
1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 47822379
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate
CID 55312161
(5-Methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 55322596

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 55928356) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nnc(C)o2)cc1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is FGBIIZUKBJICLG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O6S/c1-9(14(18)22-8-13-16-15-10(2)23-13)17-24(19,20)12-6-4-11(21-3)5-7-12/h4-7,9,17H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 355.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55928356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).