N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine

C17H17N3O3S — CID 141363696

IUPACN-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CS(=O)(=O)c2nnc(Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-3-7-14(8-4-12)11-24(21,22)17-20-19-16(23-17)18-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyBCZKYNOGMDUZEJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.40
Rot. Bonds5

About N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine

N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine (PubChem CID 141363696) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine
PubChem CID141363696
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CS(=O)(=O)c2nnc(Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-3-7-14(8-4-12)11-24(21,22)17-20-19-16(23-17)18-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyBCZKYNOGMDUZEJ-UHFFFAOYSA-N
XLogP3.40
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-3-methyl-1-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]butyl]azanium chloride
CID 44664430
(1S)-3-methyl-1-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]butan-1-amine;hydrochloride
CID 52995090
2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole
CID 167434648
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188300
tert-butyl N-[5-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
CID 2032913
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
5-(chloromethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956629

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine (CID 141363696) is N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(CS(=O)(=O)c2nnc(Nc3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BCZKYNOGMDUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-3-7-14(8-4-12)11-24(21,22)17-20-19-16(23-17)18-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine?
N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 343.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 141363696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).