N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide

C15H15N5O3S — CID 167813381

IUPACN-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide
SMILESCn1ccnc1-c1noc(-c2cccc(NS(=O)(=O)C3CC3)c2)n1
InChIInChI=1S/C15H15N5O3S/c1-20-8-7-16-14(20)13-17-15(23-18-13)10-3-2-4-11(9-10)19-24(21,22)12-5-6-12/h2-4,7-9,12,19H,5-6H2,1H3
InChIKeyNDTZRXJQMCDLMO-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.04
Rot. Bonds5

About N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide

N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide (PubChem CID 167813381) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide
PubChem CID167813381
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide
SMILESCn1ccnc1-c1noc(-c2cccc(NS(=O)(=O)C3CC3)c2)n1
InChIInChI=1S/C15H15N5O3S/c1-20-8-7-16-14(20)13-17-15(23-18-13)10-3-2-4-11(9-10)19-24(21,22)12-5-6-12/h2-4,7-9,12,19H,5-6H2,1H3
InChIKeyNDTZRXJQMCDLMO-UHFFFAOYSA-N
XLogP2.04
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide (CID 167813381) is N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide is Cn1ccnc1-c1noc(-c2cccc(NS(=O)(=O)C3CC3)c2)n1.
What is the InChIKey of N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is NDTZRXJQMCDLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-20-8-7-16-14(20)13-17-15(23-18-13)10-3-2-4-11(9-10)19-24(21,22)12-5-6-12/h2-4,7-9,12,19H,5-6H2,1H3.
What are the key properties of N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide?
N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 167813381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).