6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one

C19H17FN4O2S — CID 74824438

IUPAC6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one
SMILESO=C1CC(c2ccc(F)cc2)NC(SCc2nc(-c3ccccc3)no2)N1
InChIInChI=1S/C19H17FN4O2S/c20-14-8-6-12(7-9-14)15-10-16(25)22-19(21-15)27-11-17-23-18(24-26-17)13-4-2-1-3-5-13/h1-9,15,19,21H,10-11H2,(H,22,25)
InChIKeyBAOJIMSGAFCVFL-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.24
Rot. Bonds5

About 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one

6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one (PubChem CID 74824438) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one
PubChem CID74824438
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one
SMILESO=C1CC(c2ccc(F)cc2)NC(SCc2nc(-c3ccccc3)no2)N1
InChIInChI=1S/C19H17FN4O2S/c20-14-8-6-12(7-9-14)15-10-16(25)22-19(21-15)27-11-17-23-18(24-26-17)13-4-2-1-3-5-13/h1-9,15,19,21H,10-11H2,(H,22,25)
InChIKeyBAOJIMSGAFCVFL-UHFFFAOYSA-N
XLogP3.24
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one with MolForge

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Related Compounds

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-(4-fluorophenyl)-1,3-diazinan-4-one
CID 73221981
2-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-(3-methoxyphenyl)-1,3-diazinan-4-one
CID 75272033
3-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanylmethyl]benzoic acid
CID 134823472
5-benzyl-2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-1,3-diazinan-4-one
CID 75271958
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 18144154
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
N-benzyl-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 60565455
3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43241511
5-[(3-fluorophenyl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 78845533
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 39581934
N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
CID 18285895

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one (CID 74824438) is 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one is O=C1CC(c2ccc(F)cc2)NC(SCc2nc(-c3ccccc3)no2)N1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one?
The InChIKey is BAOJIMSGAFCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-14-8-6-12(7-9-14)15-10-16(25)22-19(21-15)27-11-17-23-18(24-26-17)13-4-2-1-3-5-13/h1-9,15,19,21H,10-11H2,(H,22,25).
What are the key properties of 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one?
6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one has a molecular weight of 384.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-diazinan-4-one is sourced from PubChem (CID 74824438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).