N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide

C12H11N3O3 — CID 119043716

IUPACN'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)C(N)=O
InChIInChI=1S/C12H11N3O3/c1-7-9(14-12(17)11(13)16)10(18-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,16)(H,14,17)
InChIKeyHJQFPGCQVGXWLD-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.07
Rot. Bonds2

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

N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide (PubChem CID 119043716) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
PubChem CID119043716
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)C(N)=O
InChIInChI=1S/C12H11N3O3/c1-7-9(14-12(17)11(13)16)10(18-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,16)(H,14,17)
InChIKeyHJQFPGCQVGXWLD-UHFFFAOYSA-N
XLogP1.07
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide?
The IUPAC name of N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide (CID 119043716) is N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide.
What is the SMILES notation for N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide?
The canonical SMILES for N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide is Cc1noc(-c2ccccc2)c1NC(=O)C(N)=O.
What is the InChIKey of N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide?
The InChIKey is HJQFPGCQVGXWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-9(14-12(17)11(13)16)10(18-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,16)(H,14,17).
What are the key properties of N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide?
N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide has a molecular weight of 245.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide is sourced from PubChem (CID 119043716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).