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

C13H9ClF3N3O3 — CID 2726925

IUPACN'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C13H9ClF3N3O3/c1-6-18-9(10(23-6)13(15,16)17)12(22)20-19-11(21)7-2-4-8(14)5-3-7/h2-5H,1H3,(H,19,21)(H,20,22)
InChIKeyFTLGCMZAVRVRRB-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.73
Rot. Bonds2

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

N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide (PubChem CID 2726925) has the molecular formula C13H9ClF3N3O3 and a molecular weight of 347.68 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
PubChem CID2726925
Molecular FormulaC13H9ClF3N3O3
Molecular Weight347.68 g/mol
Exact Mass347.03
IUPAC NameN'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C13H9ClF3N3O3/c1-6-18-9(10(23-6)13(15,16)17)12(22)20-19-11(21)7-2-4-8(14)5-3-7/h2-5H,1H3,(H,19,21)(H,20,22)
InChIKeyFTLGCMZAVRVRRB-UHFFFAOYSA-N
XLogP2.73
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.73
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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Related Compounds

N'-(2-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
CID 2726923
N'-(3-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
CID 2726924
N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
CID 2726926
2-methyl-N-(2-oxo-2-phenylethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726935
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726936
N-(2-chloro-4-fluorobenzyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 87054863
N-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726943
N-(3-chlorobenzyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195152
3-Chloro-4-fluoro-N-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-YL]methyl}benzamide
CID 53195466
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide
CID 47345052
5-Chloro-2-fluoro-N-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]methyl}benzamide
CID 53195379
3-chloro-4-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
CID 53195381

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide (CID 2726925) is N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide is Cc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)o1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
The InChIKey is FTLGCMZAVRVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O3/c1-6-18-9(10(23-6)13(15,16)17)12(22)20-19-11(21)7-2-4-8(14)5-3-7/h2-5H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide?
N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide has a molecular weight of 347.68 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 2726925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).