N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide

C14H15N3O3 — CID 44996026

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O3/c1-9-3-5-11(6-4-9)8-15-13(18)14(19)16-12-7-10(2)20-17-12/h3-7H,8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyOHORSKIAICHHTQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.55
Rot. Bonds3

About N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 44996026) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
PubChem CID44996026
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O3/c1-9-3-5-11(6-4-9)8-15-13(18)14(19)16-12-7-10(2)20-17-12/h3-7H,8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyOHORSKIAICHHTQ-UHFFFAOYSA-N
XLogP1.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108503092
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746
N-(5-methyl-1,2-oxazol-3-yl)-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118580
N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide (CID 44996026) is N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is OHORSKIAICHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-3-5-11(6-4-9)8-15-13(18)14(19)16-12-7-10(2)20-17-12/h3-7H,8H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 273.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 44996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).