3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione

C18H13FN4O3 — CID 27374043

IUPAC3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H13FN4O3/c19-12-7-5-11(6-8-12)16-21-15(26-22-16)9-10-23-17(24)13-3-1-2-4-14(13)20-18(23)25/h1-8H,9-10H2,(H,20,25)
InChIKeyHWHKWTFQBYNUBS-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.12
Rot. Bonds4

About 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione

3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione (PubChem CID 27374043) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione
PubChem CID27374043
Molecular FormulaC18H13FN4O3
Molecular Weight352.33 g/mol
Exact Mass352.10
IUPAC Name3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H13FN4O3/c19-12-7-5-11(6-8-12)16-21-15(26-22-16)9-10-23-17(24)13-3-1-2-4-14(13)20-18(23)25/h1-8H,9-10H2,(H,20,25)
InChIKeyHWHKWTFQBYNUBS-UHFFFAOYSA-N
XLogP2.12
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione (CID 27374043) is 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is HWHKWTFQBYNUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3/c19-12-7-5-11(6-8-12)16-21-15(26-22-16)9-10-23-17(24)13-3-1-2-4-14(13)20-18(23)25/h1-8H,9-10H2,(H,20,25).
What are the key properties of 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione?
3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 352.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 27374043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).