N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide

C13H13N3O4 — CID 18588609

IUPACN-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccon1
InChIInChI=1S/C13H13N3O4/c1-19-10-5-3-2-4-9(10)8-14-12(17)13(18)15-11-6-7-20-16-11/h2-7H,8H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyHAAKAVKRSIHNQO-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.94
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 18588609) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID18588609
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccon1
InChIInChI=1S/C13H13N3O4/c1-19-10-5-3-2-4-9(10)8-14-12(17)13(18)15-11-6-7-20-16-11/h2-7H,8H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyHAAKAVKRSIHNQO-UHFFFAOYSA-N
XLogP0.94
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.94
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

1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812054
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2175728
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108501079

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 18588609) is N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide is COc1ccccc1CNC(=O)C(=O)Nc1ccon1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is HAAKAVKRSIHNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-19-10-5-3-2-4-9(10)8-14-12(17)13(18)15-11-6-7-20-16-11/h2-7H,8H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 275.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 18588609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).