N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C15H15N3O4S — CID 71985540

IUPACN-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccc(-c2nc(CNS(=O)(=O)Cc3ccon3)co2)cc1
InChIInChI=1S/C15H15N3O4S/c1-11-2-4-12(5-3-11)15-17-14(9-21-15)8-16-23(19,20)10-13-6-7-22-18-13/h2-7,9,16H,8,10H2,1H3
InChIKeyRXOGNVPHZHNTCE-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.26
Rot. Bonds6

About N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71985540) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71985540
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccc(-c2nc(CNS(=O)(=O)Cc3ccon3)co2)cc1
InChIInChI=1S/C15H15N3O4S/c1-11-2-4-12(5-3-11)15-17-14(9-21-15)8-16-23(19,20)10-13-6-7-22-18-13/h2-7,9,16H,8,10H2,1H3
InChIKeyRXOGNVPHZHNTCE-UHFFFAOYSA-N
XLogP2.26
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
2-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 75425227
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
1,3-diethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide
CID 111824505
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-(2-methylsulfonylethyl)guanidine
CID 111590257
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide
CID 110714665
2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111551724
1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
CID 81169954
1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
CID 71997691

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71985540) is N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is Cc1ccc(-c2nc(CNS(=O)(=O)Cc3ccon3)co2)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is RXOGNVPHZHNTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-11-2-4-12(5-3-11)15-17-14(9-21-15)8-16-23(19,20)10-13-6-7-22-18-13/h2-7,9,16H,8,10H2,1H3.
What are the key properties of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71985540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).