N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide

C10H6ClF3N4O2 — CID 130442122

IUPACN'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
SMILESO=C(NNCl)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C10H6ClF3N4O2/c11-18-16-8(19)6-3-1-5(2-4-6)7-15-9(20-17-7)10(12,13)14/h1-4,18H,(H,16,19)
InChIKeyBOJSBKUDOPPJGD-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.14
Rot. Bonds3

About N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide

N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide (PubChem CID 130442122) has the molecular formula C10H6ClF3N4O2 and a molecular weight of 306.63 g/mol. Its IUPAC name is N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
PubChem CID130442122
Molecular FormulaC10H6ClF3N4O2
Molecular Weight306.63 g/mol
Exact Mass306.01
IUPAC NameN'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
SMILESO=C(NNCl)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C10H6ClF3N4O2/c11-18-16-8(19)6-3-1-5(2-4-6)7-15-9(20-17-7)10(12,13)14/h1-4,18H,(H,16,19)
InChIKeyBOJSBKUDOPPJGD-UHFFFAOYSA-N
XLogP2.14
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
N-(3-hydroxypropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230893
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
N-[(Z)-methoxyiminomethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 159324725
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120530908
(2R)-3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]butanoic acid
CID 119368977
N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 75420058
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-(1,1,3,4-tetrahydroxybutan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 90149752
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067

Frequently Asked Questions

What is the IUPAC name of N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide?
The IUPAC name of N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide (CID 130442122) is N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide.
What is the SMILES notation for N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide?
The canonical SMILES for N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide is O=C(NNCl)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide?
The InChIKey is BOJSBKUDOPPJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4O2/c11-18-16-8(19)6-3-1-5(2-4-6)7-15-9(20-17-7)10(12,13)14/h1-4,18H,(H,16,19).
What are the key properties of N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide?
N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide has a molecular weight of 306.63 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide is sourced from PubChem (CID 130442122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).