5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine

C13H15N3O4S — CID 167851989

IUPAC5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC3CCOC3)o2)c1
InChIInChI=1S/C13H15N3O4S/c1-21(17,18)11-4-2-3-9(7-11)12-15-16-13(20-12)14-10-5-6-19-8-10/h2-4,7,10H,5-6,8H2,1H3,(H,14,16)
InChIKeyPMGSALITOVWDAM-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.34
Rot. Bonds4

About 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine

5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 167851989) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID167851989
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC3CCOC3)o2)c1
InChIInChI=1S/C13H15N3O4S/c1-21(17,18)11-4-2-3-9(7-11)12-15-16-13(20-12)14-10-5-6-19-8-10/h2-4,7,10H,5-6,8H2,1H3,(H,14,16)
InChIKeyPMGSALITOVWDAM-UHFFFAOYSA-N
XLogP1.34
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide
CID 43977266
N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 83886680
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 41028239
2-[4-(3-fluorophenyl)oxan-4-yl]-5-(3-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 56804118
5-methyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43977835
5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 167966565
N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162688
2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977325
2-methyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43978184
2,5-dichloro-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028245

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine (CID 167851989) is 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine is CS(=O)(=O)c1cccc(-c2nnc(NC3CCOC3)o2)c1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PMGSALITOVWDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-21(17,18)11-4-2-3-9(7-11)12-15-16-13(20-12)14-10-5-6-19-8-10/h2-4,7,10H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 309.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167851989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).