(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate

C18H17N3O5S — CID 7909292

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O5S/c22-17(11-12-19-27(23,24)15-9-5-2-6-10-15)25-13-16-20-21-18(26-16)14-7-3-1-4-8-14/h1-10,19H,11-13H2
InChIKeyNNNLZNVZBLDNTN-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.15
Rot. Bonds8

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate (PubChem CID 7909292) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate
PubChem CID7909292
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O5S/c22-17(11-12-19-27(23,24)15-9-5-2-6-10-15)25-13-16-20-21-18(26-16)14-7-3-1-4-8-14/h1-10,19H,11-13H2
InChIKeyNNNLZNVZBLDNTN-UHFFFAOYSA-N
XLogP2.15
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate (CID 7909292) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate is O=C(CCNS(=O)(=O)c1ccccc1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate?
The InChIKey is NNNLZNVZBLDNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-17(11-12-19-27(23,24)15-9-5-2-6-10-15)25-13-16-20-21-18(26-16)14-7-3-1-4-8-14/h1-10,19H,11-13H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate has a molecular weight of 387.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 7909292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).