N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C21H22N2O4S — CID 42595324

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(COc2ccccc2SC)on1
InChIInChI=1S/C21H22N2O4S/c1-23(13-15-8-4-5-9-18(15)25-2)21(24)17-12-16(27-22-17)14-26-19-10-6-7-11-20(19)28-3/h4-12H,13-14H2,1-3H3
InChIKeyVNJXTEBIVOHQAQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.26
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42595324) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID42595324
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(COc2ccccc2SC)on1
InChIInChI=1S/C21H22N2O4S/c1-23(13-15-8-4-5-9-18(15)25-2)21(24)17-12-16(27-22-17)14-26-19-10-6-7-11-20(19)28-3/h4-12H,13-14H2,1-3H3
InChIKeyVNJXTEBIVOHQAQ-UHFFFAOYSA-N
XLogP4.26
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24792134
N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 95211220
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 95221527
N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 66155520
5-[(2-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56719289
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42190643
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 24817545
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 24791966

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 42595324) is N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is COc1ccccc1CN(C)C(=O)c1cc(COc2ccccc2SC)on1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VNJXTEBIVOHQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-23(13-15-8-4-5-9-18(15)25-2)21(24)17-12-16(27-22-17)14-26-19-10-6-7-11-20(19)28-3/h4-12H,13-14H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42595324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).