4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C19H21N5O3S — CID 137222703

IUPAC4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1c1noc(-c2cnc(C3CC3)[nH]2)n1
InChIInChI=1S/C19H21N5O3S/c1-19(2)14(10-5-7-12(8-6-10)28(20,25)26)15(19)17-23-18(27-24-17)13-9-21-16(22-13)11-3-4-11/h5-9,11,14-15H,3-4H2,1-2H3,(H,21,22)(H2,20,25,26)
InChIKeyFRKFPEBCNZMRPT-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.89
Rot. Bonds5

About 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 137222703) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID137222703
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1c1noc(-c2cnc(C3CC3)[nH]2)n1
InChIInChI=1S/C19H21N5O3S/c1-19(2)14(10-5-7-12(8-6-10)28(20,25)26)15(19)17-23-18(27-24-17)13-9-21-16(22-13)11-3-4-11/h5-9,11,14-15H,3-4H2,1-2H3,(H,21,22)(H2,20,25,26)
InChIKeyFRKFPEBCNZMRPT-UHFFFAOYSA-N
XLogP2.89
TPSA127.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 137222703) is 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is CC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1c1noc(-c2cnc(C3CC3)[nH]2)n1.
What is the InChIKey of 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is FRKFPEBCNZMRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-19(2)14(10-5-7-12(8-6-10)28(20,25)26)15(19)17-23-18(27-24-17)13-9-21-16(22-13)11-3-4-11/h5-9,11,14-15H,3-4H2,1-2H3,(H,21,22)(H2,20,25,26).
What are the key properties of 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 399.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 137222703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).