N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide

C15H17N3O3S — CID 99783059

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide
SMILESCOCc1ccc(CNC(=O)C(=O)Nc2cc(C)ns2)cc1
InChIInChI=1S/C15H17N3O3S/c1-10-7-13(22-18-10)17-15(20)14(19)16-8-11-3-5-12(6-4-11)9-21-2/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJMMZPRMKPBGTQM-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.85
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide

N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide (PubChem CID 99783059) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide
PubChem CID99783059
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide
SMILESCOCc1ccc(CNC(=O)C(=O)Nc2cc(C)ns2)cc1
InChIInChI=1S/C15H17N3O3S/c1-10-7-13(22-18-10)17-15(20)14(19)16-8-11-3-5-12(6-4-11)9-21-2/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJMMZPRMKPBGTQM-UHFFFAOYSA-N
XLogP1.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxy-2-methylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]oxamide
CID 86827111
trans-(1S,2S)-2-[[4-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131684
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine
CID 107234361
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
2-methoxy-N-[4-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55697500
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide (CID 99783059) is N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide is COCc1ccc(CNC(=O)C(=O)Nc2cc(C)ns2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide?
The InChIKey is JMMZPRMKPBGTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-7-13(22-18-10)17-15(20)14(19)16-8-11-3-5-12(6-4-11)9-21-2/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide?
N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide has a molecular weight of 319.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide is sourced from PubChem (CID 99783059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).