2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole

C13H17N3O4S — CID 53175552

IUPAC2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)o2)o1
InChIInChI=1S/C13H17N3O4S/c1-9(2)12-14-15-13(20-12)10-5-6-11(19-10)21(17,18)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyPVZVGBDMDXHZGG-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.24
Rot. Bonds4

About 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole

2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole (PubChem CID 53175552) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
PubChem CID53175552
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)o2)o1
InChIInChI=1S/C13H17N3O4S/c1-9(2)12-14-15-13(20-12)10-5-6-11(19-10)21(17,18)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyPVZVGBDMDXHZGG-UHFFFAOYSA-N
XLogP2.24
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-piperidin-1-ylsulfonylfuran-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 53175553
2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 53175550
2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175715
2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175609
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469
2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175447
N-(2-ethoxyphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175530
2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 53175822
3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole
CID 45495766
2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175610
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396633

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole (CID 53175552) is 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole is CC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)o2)o1.
What is the InChIKey of 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is PVZVGBDMDXHZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9(2)12-14-15-13(20-12)10-5-6-11(19-10)21(17,18)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 311.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 53175552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).