N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide

C12H15N3O3S — CID 58960402

IUPACN-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
SMILESCCCc1ccc(-c2nnc(NS(C)(=O)=O)o2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-4-9-5-7-10(8-6-9)11-13-14-12(18-11)15-19(2,16)17/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeySDAKVCDJKXYSFQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.06
Rot. Bonds5

About N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide

N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide (PubChem CID 58960402) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
PubChem CID58960402
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
SMILESCCCc1ccc(-c2nnc(NS(C)(=O)=O)o2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-4-9-5-7-10(8-6-9)11-13-14-12(18-11)15-19(2,16)17/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeySDAKVCDJKXYSFQ-UHFFFAOYSA-N
XLogP2.06
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide (CID 58960402) is N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide is CCCc1ccc(-c2nnc(NS(C)(=O)=O)o2)cc1.
What is the InChIKey of N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The InChIKey is SDAKVCDJKXYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-4-9-5-7-10(8-6-9)11-13-14-12(18-11)15-19(2,16)17/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 58960402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).