N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide

C20H18FN3O4 — CID 25161607

IUPACN'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide
SMILESCc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H18FN3O4/c1-12-17(13(2)28-24-12)11-27-15-9-7-14(8-10-15)19(25)22-23-20(26)16-5-3-4-6-18(16)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVVECHMIUGWBDAH-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.08
Rot. Bonds5

About N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide

N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide (PubChem CID 25161607) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide
PubChem CID25161607
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide
SMILESCc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H18FN3O4/c1-12-17(13(2)28-24-12)11-27-15-9-7-14(8-10-15)19(25)22-23-20(26)16-5-3-4-6-18(16)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVVECHMIUGWBDAH-UHFFFAOYSA-N
XLogP3.08
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide (CID 25161607) is N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide is Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1.
What is the InChIKey of N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide?
The InChIKey is VVECHMIUGWBDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-12-17(13(2)28-24-12)11-27-15-9-7-14(8-10-15)19(25)22-23-20(26)16-5-3-4-6-18(16)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide?
N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide has a molecular weight of 383.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 25161607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).