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

C12H9F4N3O2 — CID 2727112

IUPACN'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNc2ccc(F)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C12H9F4N3O2/c1-6-17-9(10(21-6)12(14,15)16)11(20)19-18-8-4-2-7(13)3-5-8/h2-5,18H,1H3,(H,19,20)
InChIKeyOSBHKHRWADXKMW-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.90
Rot. Bonds3

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

N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide (PubChem CID 2727112) has the molecular formula C12H9F4N3O2 and a molecular weight of 303.22 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
PubChem CID2727112
Molecular FormulaC12H9F4N3O2
Molecular Weight303.22 g/mol
Exact Mass303.06
IUPAC NameN'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNc2ccc(F)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C12H9F4N3O2/c1-6-17-9(10(21-6)12(14,15)16)11(20)19-18-8-4-2-7(13)3-5-8/h2-5,18H,1H3,(H,19,20)
InChIKeyOSBHKHRWADXKMW-UHFFFAOYSA-N
XLogP2.90
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.90
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'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide (CID 2727112) is N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide is Cc1nc(C(=O)NNc2ccc(F)cc2)c(C(F)(F)F)o1.
What is the InChIKey of N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The InChIKey is OSBHKHRWADXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O2/c1-6-17-9(10(21-6)12(14,15)16)11(20)19-18-8-4-2-7(13)3-5-8/h2-5,18H,1H3,(H,19,20).
What are the key properties of N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide has a molecular weight of 303.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 2727112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).