N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide

C12H13N5O4S — CID 71973848

IUPACN-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
SMILESCn1cc(-c2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cn1
InChIInChI=1S/C12H13N5O4S/c1-17-7-8(5-13-17)11-15-12(21-16-11)10-4-3-9(20-10)6-14-22(2,18)19/h3-5,7,14H,6H2,1-2H3
InChIKeyJNHXOXREOOVPDV-UHFFFAOYSA-N
MW323.33 g/mol
LogP0.78
Rot. Bonds5

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

N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide (PubChem CID 71973848) has the molecular formula C12H13N5O4S and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
PubChem CID71973848
Molecular FormulaC12H13N5O4S
Molecular Weight323.33 g/mol
Exact Mass323.07
IUPAC NameN-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
SMILESCn1cc(-c2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cn1
InChIInChI=1S/C12H13N5O4S/c1-17-7-8(5-13-17)11-15-12(21-16-11)10-4-3-9(20-10)6-14-22(2,18)19/h3-5,7,14H,6H2,1-2H3
InChIKeyJNHXOXREOOVPDV-UHFFFAOYSA-N
XLogP0.78
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide (CID 71973848) is N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide is Cn1cc(-c2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cn1.
What is the InChIKey of N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
The InChIKey is JNHXOXREOOVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4S/c1-17-7-8(5-13-17)11-15-12(21-16-11)10-4-3-9(20-10)6-14-22(2,18)19/h3-5,7,14H,6H2,1-2H3.
What are the key properties of N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide has a molecular weight of 323.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71973848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).