5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one

C17H11FN4O3 — CID 167749575

IUPAC5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]c(Cn2nc(-c3ccc(F)cc3)oc2=O)nc2ccccc12
InChIInChI=1S/C17H11FN4O3/c18-11-7-5-10(6-8-11)16-21-22(17(24)25-16)9-14-19-13-4-2-1-3-12(13)15(23)20-14/h1-8H,9H2,(H,19,20,23)
InChIKeyCNLXHNITCVEOTK-UHFFFAOYSA-N
MW338.30 g/mol
LogP1.93
Rot. Bonds3

About 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one (PubChem CID 167749575) has the molecular formula C17H11FN4O3 and a molecular weight of 338.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one
PubChem CID167749575
Molecular FormulaC17H11FN4O3
Molecular Weight338.30 g/mol
Exact Mass338.08
IUPAC Name5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]c(Cn2nc(-c3ccc(F)cc3)oc2=O)nc2ccccc12
InChIInChI=1S/C17H11FN4O3/c18-11-7-5-10(6-8-11)16-21-22(17(24)25-16)9-14-19-13-4-2-1-3-12(13)15(23)20-14/h1-8H,9H2,(H,19,20,23)
InChIKeyCNLXHNITCVEOTK-UHFFFAOYSA-N
XLogP1.93
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 37175464
2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione
CID 27039673
ethyl-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751759
3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17448323
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
CID 17405547
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18139790
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
5-(4-fluorophenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 134966944
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135751788
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N'-methyl-N'-phenylacetohydrazide
CID 9480149

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one (CID 167749575) is 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one is O=c1[nH]c(Cn2nc(-c3ccc(F)cc3)oc2=O)nc2ccccc12.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is CNLXHNITCVEOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O3/c18-11-7-5-10(6-8-11)16-21-22(17(24)25-16)9-14-19-13-4-2-1-3-12(13)15(23)20-14/h1-8H,9H2,(H,19,20,23).
What are the key properties of 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 338.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 167749575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).