2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide

C18H15F3N4O4 — CID 155211855

IUPAC2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide
SMILESO=C1NC(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C18H15F3N4O4/c19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-25-16(27)14-9-29-17(28)23-14/h1-8,14,22H,9H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyNHGQIXHSJPHUDF-UHFFFAOYSA-N
MW408.34 g/mol
LogP2.32
Rot. Bonds4

About 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide

2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide (PubChem CID 155211855) has the molecular formula C18H15F3N4O4 and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide.

Molecular Properties

Compound Name2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide
PubChem CID155211855
Molecular FormulaC18H15F3N4O4
Molecular Weight408.34 g/mol
Exact Mass408.10
IUPAC Name2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide
SMILESO=C1NC(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C18H15F3N4O4/c19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-25-16(27)14-9-29-17(28)23-14/h1-8,14,22H,9H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyNHGQIXHSJPHUDF-UHFFFAOYSA-N
XLogP2.32
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
CID 158732173
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide
CID 155223984
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
CID 155712990
(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
CID 155211851
ethane;1-phenylsulfanyl-3-[[2-[4-(trifluoromethyl)anilino]benzoyl]amino]urea
CID 155713022
methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 147657405
ethyl 2,2-dimethyl-3-oxo-3-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]propanoate
CID 155211832
(4S)-N-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 175520739

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide?
The IUPAC name of 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide (CID 155211855) is 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide.
What is the SMILES notation for 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide?
The canonical SMILES for 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide is O=C1NC(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide?
The InChIKey is NHGQIXHSJPHUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4/c19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-25-16(27)14-9-29-17(28)23-14/h1-8,14,22H,9H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide?
2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide has a molecular weight of 408.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide is sourced from PubChem (CID 155211855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).