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

C18H15N3O3 — CID 3915762

IUPACN'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-12-15(16(21-24-12)13-8-4-2-5-9-13)18(23)20-19-17(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22)(H,20,23)
InChIKeyRVTOXVFITCMMBJ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.72
Rot. Bonds3

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

N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 3915762) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID3915762
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-12-15(16(21-24-12)13-8-4-2-5-9-13)18(23)20-19-17(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22)(H,20,23)
InChIKeyRVTOXVFITCMMBJ-UHFFFAOYSA-N
XLogP2.72
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.72
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'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 3915762) is N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is RVTOXVFITCMMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12-15(16(21-24-12)13-8-4-2-5-9-13)18(23)20-19-17(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 321.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 3915762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).