N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide

C17H20N4O4S — CID 50765742

IUPACN,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(-c2nc(CCN(C)S(=O)(=O)c3c(C)noc3C)no2)cc1
InChIInChI=1S/C17H20N4O4S/c1-11-5-7-14(8-6-11)17-18-15(20-25-17)9-10-21(4)26(22,23)16-12(2)19-24-13(16)3/h5-8H,9-10H2,1-4H3
InChIKeyBGIBBABOPPECQD-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.51
Rot. Bonds6

About N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide

N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 50765742) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID50765742
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(-c2nc(CCN(C)S(=O)(=O)c3c(C)noc3C)no2)cc1
InChIInChI=1S/C17H20N4O4S/c1-11-5-7-14(8-6-11)17-18-15(20-25-17)9-10-21(4)26(22,23)16-12(2)19-24-13(16)3/h5-8H,9-10H2,1-4H3
InChIKeyBGIBBABOPPECQD-UHFFFAOYSA-N
XLogP2.51
TPSA102.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide (CID 50765742) is N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide is Cc1ccc(-c2nc(CCN(C)S(=O)(=O)c3c(C)noc3C)no2)cc1.
What is the InChIKey of N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is BGIBBABOPPECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-11-5-7-14(8-6-11)17-18-15(20-25-17)9-10-21(4)26(22,23)16-12(2)19-24-13(16)3/h5-8H,9-10H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 376.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 50765742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).