1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione

C20H17FN4O3 — CID 30850222

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione
SMILESCC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O
InChIInChI=1S/C20H17FN4O3/c1-12(2)25-19(26)15-5-3-4-6-16(15)24(20(25)27)11-17-22-18(23-28-17)13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyFGXMFXSEUKIOQC-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.98
Rot. Bonds4

About 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione (PubChem CID 30850222) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione
PubChem CID30850222
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione
SMILESCC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O
InChIInChI=1S/C20H17FN4O3/c1-12(2)25-19(26)15-5-3-4-6-16(15)24(20(25)27)11-17-22-18(23-28-17)13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyFGXMFXSEUKIOQC-UHFFFAOYSA-N
XLogP2.98
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione (CID 30850222) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione is CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione?
The InChIKey is FGXMFXSEUKIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12(2)25-19(26)15-5-3-4-6-16(15)24(20(25)27)11-17-22-18(23-28-17)13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione has a molecular weight of 380.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 30850222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).