N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide

C18H12FN3O5 — CID 46471021

IUPACN'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H12FN3O5/c19-12-3-1-2-10(6-12)13-8-16(27-22-13)18(24)21-20-17(23)11-4-5-14-15(7-11)26-9-25-14/h1-8H,9H2,(H,20,23)(H,21,24)
InChIKeyKDEPRJYYTFXVJV-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.28
Rot. Bonds3

About N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 46471021) has the molecular formula C18H12FN3O5 and a molecular weight of 369.31 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID46471021
Molecular FormulaC18H12FN3O5
Molecular Weight369.31 g/mol
Exact Mass369.08
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H12FN3O5/c19-12-3-1-2-10(6-12)13-8-16(27-22-13)18(24)21-20-17(23)11-4-5-14-15(7-11)26-9-25-14/h1-8H,9H2,(H,20,23)(H,21,24)
InChIKeyKDEPRJYYTFXVJV-UHFFFAOYSA-N
XLogP2.28
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 46471000
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
CID 3146119
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110164148
N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 34257431
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096840
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 50828708
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
3-(1,3-benzodioxol-5-yl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91917216
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide (CID 46471021) is N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide is O=C(NNC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is KDEPRJYYTFXVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O5/c19-12-3-1-2-10(6-12)13-8-16(27-22-13)18(24)21-20-17(23)11-4-5-14-15(7-11)26-9-25-14/h1-8H,9H2,(H,20,23)(H,21,24).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 369.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 46471021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).