N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C18H23N5O3S — CID 97319895

IUPACN-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1C
InChIInChI=1S/C18H23N5O3S/c1-5-23-14(4)17(12(2)20-23)27(24,25)22-13(3)18-19-16(21-26-18)11-15-9-7-6-8-10-15/h6-10,13,22H,5,11H2,1-4H3/t13-/m0/s1
InChIKeyYBQDYRIKHGHHLB-ZDUSSCGKSA-N
MW389.48 g/mol
LogP2.53
Rot. Bonds7

About N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 97319895) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID97319895
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1C
InChIInChI=1S/C18H23N5O3S/c1-5-23-14(4)17(12(2)20-23)27(24,25)22-13(3)18-19-16(21-26-18)11-15-9-7-6-8-10-15/h6-10,13,22H,5,11H2,1-4H3/t13-/m0/s1
InChIKeyYBQDYRIKHGHHLB-ZDUSSCGKSA-N
XLogP2.53
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 97319895) is N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1C.
What is the InChIKey of N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is YBQDYRIKHGHHLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-5-23-14(4)17(12(2)20-23)27(24,25)22-13(3)18-19-16(21-26-18)11-15-9-7-6-8-10-15/h6-10,13,22H,5,11H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 97319895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).