N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C13H17N3O3S — CID 43458492

IUPACN-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)Cc2ccccc2N)no1
InChIInChI=1S/C13H17N3O3S/c1-10-7-12(15-19-10)9-20(17,18)16(2)8-11-5-3-4-6-13(11)14/h3-7H,8-9,14H2,1-2H3
InChIKeyVFBKASUUDOJFJB-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.53
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 43458492) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID43458492
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)Cc2ccccc2N)no1
InChIInChI=1S/C13H17N3O3S/c1-10-7-12(15-19-10)9-20(17,18)16(2)8-11-5-3-4-6-13(11)14/h3-7H,8-9,14H2,1-2H3
InChIKeyVFBKASUUDOJFJB-UHFFFAOYSA-N
XLogP1.53
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110714543
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
1-(2-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 62022448
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 43587615
N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide
CID 63230035
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607330
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 63265679
1-N-methyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 43588143
methyl 2-amino-6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzoate
CID 104824388
N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
CID 30056480

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 43458492) is N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)N(C)Cc2ccccc2N)no1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is VFBKASUUDOJFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-7-12(15-19-10)9-20(17,18)16(2)8-11-5-3-4-6-13(11)14/h3-7H,8-9,14H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 43458492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).