N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide

C13H10F3N3O3 — CID 2726926

IUPACN'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C13H10F3N3O3/c1-7-17-9(10(22-7)13(14,15)16)12(21)19-18-11(20)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyHTVMJVAWDFVFQI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.08
Rot. Bonds2

About N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide

N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide (PubChem CID 2726926) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.24 g/mol. Its IUPAC name is N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
PubChem CID2726926
Molecular FormulaC13H10F3N3O3
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC NameN'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C13H10F3N3O3/c1-7-17-9(10(22-7)13(14,15)16)12(21)19-18-11(20)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyHTVMJVAWDFVFQI-UHFFFAOYSA-N
XLogP2.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.08
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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Related Compounds

CID 2726925
CID 2726925
CID 2726923
CID 2726923
CID 2726924
CID 2726924
CID 2726935
CID 2726935
CID 2726936
CID 2726936
CID 2727112
CID 2727112
CID 53195141
CID 53195141
CID 53195146
CID 53195146
CID 53195147
CID 53195147
CID 53195148
CID 53195148
CID 53195151
CID 53195151
CID 53195157
CID 53195157

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide (CID 2726926) is N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide is Cc1nc(C(=O)NNC(=O)c2ccccc2)c(C(F)(F)F)o1.
What is the InChIKey of N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The InChIKey is HTVMJVAWDFVFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c1-7-17-9(10(22-7)13(14,15)16)12(21)19-18-11(20)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide has a molecular weight of 313.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 2726926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).