3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide

C10H7F3N4O3 — CID 2744635

IUPAC3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)19-6-3-1-5(2-4-6)7-15-9(20-17-7)8(18)16-14/h1-4H,14H2,(H,16,18)
InChIKeyYRNKLMFDYOTVIN-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.24
Rot. Bonds3

About 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide

3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide (PubChem CID 2744635) has the molecular formula C10H7F3N4O3 and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
PubChem CID2744635
Molecular FormulaC10H7F3N4O3
Molecular Weight288.19 g/mol
Exact Mass288.05
IUPAC Name3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)19-6-3-1-5(2-4-6)7-15-9(20-17-7)8(18)16-14/h1-4H,14H2,(H,16,18)
InChIKeyYRNKLMFDYOTVIN-UHFFFAOYSA-N
XLogP1.24
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide
CID 139220683
5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
CID 86711960
N-[(2-chlorophenyl)methylideneamino]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 2744636
N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 29152262
N-[(5Z)-7-bromo-5-ethenyl-3-oxoocta-5,7-dien-2-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 90059572
N-[4-(3-bromophenyl)-3-oxobutan-2-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 86711479
N-[4-(3-bromophenyl)-3-oxobutan-2-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide;ethane
CID 144580672
tert-butyl-[2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamic acid
CID 134205414
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
methyl 4-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232626
(2S)-2-(methylamino)-2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 145159612

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide (CID 2744635) is 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide is NNC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide?
The InChIKey is YRNKLMFDYOTVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O3/c11-10(12,13)19-6-3-1-5(2-4-6)7-15-9(20-17-7)8(18)16-14/h1-4H,14H2,(H,16,18).
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide?
3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide has a molecular weight of 288.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide is sourced from PubChem (CID 2744635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).