N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

C19H16FN3O3S — CID 9156994

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C19H16FN3O3S/c1-12-17(18(23-26-12)13-7-3-2-4-8-13)19(25)22-21-16(24)11-27-15-10-6-5-9-14(15)20/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyHAXKHGWWQUYUJM-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.34
Rot. Bonds5

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9156994) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID9156994
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C19H16FN3O3S/c1-12-17(18(23-26-12)13-7-3-2-4-8-13)19(25)22-21-16(24)11-27-15-10-6-5-9-14(15)20/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyHAXKHGWWQUYUJM-UHFFFAOYSA-N
XLogP3.34
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(Tert-butylsulfonyl)phenyl]-5-phenyl-4-isoxazolecarboxamide
CID 1040629
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CID 9583373
5-methyl-3-phenyl-N'-(2-thienylmethylene)-4-isoxazolecarbohydrazide
CID 9583377
(E)-N-[N'-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-thiophen-2-yl-acrylamide
CID 2043610
(E)-N-[N'-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-phenyl-acrylamide
CID 5898209
N'-benzoyl-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 3915762
5-Methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 727924
5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide
CID 2811207
5-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 17428564
3-(2-chlorophenyl)-5-methyl-N'-[2-(2-nitrophenyl)sulfanylacetyl]-1,2-oxazole-4-carbohydrazide
CID 2807218
N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 2813092
N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 2818740

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 9156994) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CSc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is HAXKHGWWQUYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-12-17(18(23-26-12)13-7-3-2-4-8-13)19(25)22-21-16(24)11-27-15-10-6-5-9-14(15)20/h2-10H,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9156994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).