N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide

C17H14F2N4O4 — CID 6736047

IUPACN'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
SMILESCc1cc(-c2onc(C)c2C(=O)NNC(=O)Cc2ccc(F)c(F)c2)no1
InChIInChI=1S/C17H14F2N4O4/c1-8-5-13(23-26-8)16-15(9(2)22-27-16)17(25)21-20-14(24)7-10-3-4-11(18)12(19)6-10/h3-6H,7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyXZJMWRKNXUJTMC-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.23
Rot. Bonds4

About N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide

N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide (PubChem CID 6736047) has the molecular formula C17H14F2N4O4 and a molecular weight of 376.32 g/mol. Its IUPAC name is N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
PubChem CID6736047
Molecular FormulaC17H14F2N4O4
Molecular Weight376.32 g/mol
Exact Mass376.10
IUPAC NameN'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
SMILESCc1cc(-c2onc(C)c2C(=O)NNC(=O)Cc2ccc(F)c(F)c2)no1
InChIInChI=1S/C17H14F2N4O4/c1-8-5-13(23-26-8)16-15(9(2)22-27-16)17(25)21-20-14(24)7-10-3-4-11(18)12(19)6-10/h3-6H,7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyXZJMWRKNXUJTMC-UHFFFAOYSA-N
XLogP2.23
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide (CID 6736047) is N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide is Cc1cc(-c2onc(C)c2C(=O)NNC(=O)Cc2ccc(F)c(F)c2)no1.
What is the InChIKey of N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
The InChIKey is XZJMWRKNXUJTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O4/c1-8-5-13(23-26-8)16-15(9(2)22-27-16)17(25)21-20-14(24)7-10-3-4-11(18)12(19)6-10/h3-6H,7H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide has a molecular weight of 376.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 6736047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).