N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide

C13H13N3O3 — CID 2739635

IUPACN'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C13H13N3O3/c1-8-11(10-6-4-3-5-7-10)14-13(19-8)12(18)16-15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyZSUIDUQLGWLDHC-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.43
Rot. Bonds2

About N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide

N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide (PubChem CID 2739635) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide
PubChem CID2739635
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C13H13N3O3/c1-8-11(10-6-4-3-5-7-10)14-13(19-8)12(18)16-15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyZSUIDUQLGWLDHC-UHFFFAOYSA-N
XLogP1.43
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide?
The IUPAC name of N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide (CID 2739635) is N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide?
The canonical SMILES for N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide is CC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1.
What is the InChIKey of N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide?
The InChIKey is ZSUIDUQLGWLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-11(10-6-4-3-5-7-10)14-13(19-8)12(18)16-15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide?
N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide has a molecular weight of 259.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-methyl-4-phenyl-1,3-oxazole-2-carbohydrazide is sourced from PubChem (CID 2739635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).