N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C18H16FN3O3S — CID 158984067

IUPACN-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N=S(C)(=O)Cc3cccc(F)c3)cc2)no1
InChIInChI=1S/C18H16FN3O3S/c1-12-20-17(21-25-12)14-6-8-15(9-7-14)18(23)22-26(2,24)11-13-4-3-5-16(19)10-13/h3-10H,11H2,1-2H3
InChIKeyJPISZXCAVMDQTG-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.62
Rot. Bonds4

About N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 158984067) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID158984067
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N=S(C)(=O)Cc3cccc(F)c3)cc2)no1
InChIInChI=1S/C18H16FN3O3S/c1-12-20-17(21-25-12)14-6-8-15(9-7-14)18(23)22-26(2,24)11-13-4-3-5-16(19)10-13/h3-10H,11H2,1-2H3
InChIKeyJPISZXCAVMDQTG-UHFFFAOYSA-N
XLogP3.62
TPSA85.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 158675656
N-[methyl-[(2-methylphenyl)methyl]-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 159454111
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53033532
N-[(4-cyanophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139369791
(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 161456208
3-fluoro-N-[methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfanylidene]benzamide
CID 146264395
N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
CID 158645490
N-(2-methoxyethyl-methyl-oxo-λ6-sulfanylidene)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 155269148
4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 91395478
(2-fluorophenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 159426525
N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 137026778
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide
CID 55631453

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 158984067) is N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)N=S(C)(=O)Cc3cccc(F)c3)cc2)no1.
What is the InChIKey of N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is JPISZXCAVMDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12-20-17(21-25-12)14-6-8-15(9-7-14)18(23)22-26(2,24)11-13-4-3-5-16(19)10-13/h3-10H,11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 158984067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).