1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one

C19H17FN4O2 — CID 126773739

IUPAC1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
SMILESCc1ccc(-c2noc(-c3cccc(N4CCCNC4=O)c3)n2)cc1F
InChIInChI=1S/C19H17FN4O2/c1-12-6-7-13(11-16(12)20)17-22-18(26-23-17)14-4-2-5-15(10-14)24-9-3-8-21-19(24)25/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,25)
InChIKeyCFVQNKOUSFVYCD-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.77
Rot. Bonds3

About 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one

1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one (PubChem CID 126773739) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
PubChem CID126773739
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
SMILESCc1ccc(-c2noc(-c3cccc(N4CCCNC4=O)c3)n2)cc1F
InChIInChI=1S/C19H17FN4O2/c1-12-6-7-13(11-16(12)20)17-22-18(26-23-17)14-4-2-5-15(10-14)24-9-3-8-21-19(24)25/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,25)
InChIKeyCFVQNKOUSFVYCD-UHFFFAOYSA-N
XLogP3.77
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one with MolForge

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Related Compounds

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
CID 126790123
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
3-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]benzoic acid
CID 146134465
1-[(2R)-butan-2-yl]-3-[3-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92868277
1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
CID 167965373
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 107916360
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916847
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391660

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one (CID 126773739) is 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one is Cc1ccc(-c2noc(-c3cccc(N4CCCNC4=O)c3)n2)cc1F.
What is the InChIKey of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
The InChIKey is CFVQNKOUSFVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-6-7-13(11-16(12)20)17-22-18(26-23-17)14-4-2-5-15(10-14)24-9-3-8-21-19(24)25/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,25).
What are the key properties of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one has a molecular weight of 352.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 126773739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).