1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione

C23H13ClF2N4O3 — CID 53043384

IUPAC1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c(=O)n1-c1cc(F)ccc1F
InChIInChI=1S/C23H13ClF2N4O3/c24-14-5-3-4-13(10-14)21-27-20(33-28-21)12-29-18-7-2-1-6-16(18)22(31)30(23(29)32)19-11-15(25)8-9-17(19)26/h1-11H,12H2
InChIKeyYAIRWVJLPHAFTN-UHFFFAOYSA-N
MW466.83 g/mol
LogP4.18
Rot. Bonds4

About 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione (PubChem CID 53043384) has the molecular formula C23H13ClF2N4O3 and a molecular weight of 466.83 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione
PubChem CID53043384
Molecular FormulaC23H13ClF2N4O3
Molecular Weight466.83 g/mol
Exact Mass466.06
IUPAC Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c(=O)n1-c1cc(F)ccc1F
InChIInChI=1S/C23H13ClF2N4O3/c24-14-5-3-4-13(10-14)21-27-20(33-28-21)12-29-18-7-2-1-6-16(18)22(31)30(23(29)32)19-11-15(25)8-9-17(19)26/h1-11H,12H2
InChIKeyYAIRWVJLPHAFTN-UHFFFAOYSA-N
XLogP4.18
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.83
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione
CID 53100968
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-ethylphenyl)quinazoline-2,4-dione
CID 53100932
3-(4-ethylphenyl)-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 53043413
3-(4-ethylphenyl)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 53100937
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 91623463
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 53100966
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610988
3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
CID 30850022
3-(2-thiophen-2-ylethyl)-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 95916832
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
3-(3,5-dimethylphenyl)-1-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 45499997
3-benzyl-1-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53131178

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione?
The IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione (CID 53043384) is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c(=O)n1-c1cc(F)ccc1F.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione?
The InChIKey is YAIRWVJLPHAFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF2N4O3/c24-14-5-3-4-13(10-14)21-27-20(33-28-21)12-29-18-7-2-1-6-16(18)22(31)30(23(29)32)19-11-15(25)8-9-17(19)26/h1-11H,12H2.
What are the key properties of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione?
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione has a molecular weight of 466.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)quinazoline-2,4-dione is sourced from PubChem (CID 53043384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).