(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate

C15H18FN3O5S — CID 55324526

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
SMILESCc1nnc(COC(=O)C(NS(=O)(=O)c2ccccc2F)C(C)C)o1
InChIInChI=1S/C15H18FN3O5S/c1-9(2)14(15(20)23-8-13-18-17-10(3)24-13)19-25(21,22)12-7-5-4-6-11(12)16/h4-7,9,14,19H,8H2,1-3H3
InChIKeyYRYZHQCFDYQMPM-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.56
Rot. Bonds7

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate (PubChem CID 55324526) has the molecular formula C15H18FN3O5S and a molecular weight of 371.39 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
PubChem CID55324526
Molecular FormulaC15H18FN3O5S
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
SMILESCc1nnc(COC(=O)C(NS(=O)(=O)c2ccccc2F)C(C)C)o1
InChIInChI=1S/C15H18FN3O5S/c1-9(2)14(15(20)23-8-13-18-17-10(3)24-13)19-25(21,22)12-7-5-4-6-11(12)16/h4-7,9,14,19H,8H2,1-3H3
InChIKeyYRYZHQCFDYQMPM-UHFFFAOYSA-N
XLogP1.56
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(5-cyano-2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55936006
[3-(dimethylsulfamoyl)phenyl]methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55927989
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 55944656
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324470
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324414
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55928632
[2-(4-chloroanilino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324744
2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343813
[2-(furan-2-ylmethylamino)-2-oxoethyl] (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 2404794
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324466

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate (CID 55324526) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate is Cc1nnc(COC(=O)C(NS(=O)(=O)c2ccccc2F)C(C)C)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate?
The InChIKey is YRYZHQCFDYQMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5S/c1-9(2)14(15(20)23-8-13-18-17-10(3)24-13)19-25(21,22)12-7-5-4-6-11(12)16/h4-7,9,14,19H,8H2,1-3H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate has a molecular weight of 371.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate is sourced from PubChem (CID 55324526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).