7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione

C19H15FN4O4 — CID 53061281

IUPAC7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione
SMILESCOCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2c1=O
InChIInChI=1S/C19H15FN4O4/c1-27-9-8-24-18(25)14-7-4-12(10-15(14)21-19(24)26)17-22-16(23-28-17)11-2-5-13(20)6-3-11/h2-7,10H,8-9H2,1H3,(H,21,26)
InChIKeyCOSFOWNBZVOCIA-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.19
Rot. Bonds5

About 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione

7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione (PubChem CID 53061281) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione
PubChem CID53061281
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC Name7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione
SMILESCOCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2c1=O
InChIInChI=1S/C19H15FN4O4/c1-27-9-8-24-18(25)14-7-4-12(10-15(14)21-19(24)26)17-22-16(23-28-17)11-2-5-13(20)6-3-11/h2-7,10H,8-9H2,1H3,(H,21,26)
InChIKeyCOSFOWNBZVOCIA-UHFFFAOYSA-N
XLogP2.19
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione
CID 53061368
3-butyl-7-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061269
3-(3-phenylpropyl)-7-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061324
3-[(4-methylphenyl)methyl]-7-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061337
7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione
CID 53061396
3-[(2-fluorophenyl)methyl]-7-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061332
3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061240
3-(3-phenylpropyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061322
3-[(3-chlorophenyl)methyl]-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061366
3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
7-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065561
3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061213

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione (CID 53061281) is 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione is COCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2c1=O.
What is the InChIKey of 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione?
The InChIKey is COSFOWNBZVOCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-27-9-8-24-18(25)14-7-4-12(10-15(14)21-19(24)26)17-22-16(23-28-17)11-2-5-13(20)6-3-11/h2-7,10H,8-9H2,1H3,(H,21,26).
What are the key properties of 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione?
7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione has a molecular weight of 382.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 53061281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).