2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C27H20F3N5O4 — CID 20918614

IUPAC2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C27H20F3N5O4/c28-27(29,30)19-11-5-6-12-20(19)31-22(36)16-35-21-13-7-4-10-18(21)25(37)34(26(35)38)15-14-23-32-24(33-39-23)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,31,36)
InChIKeyUZPZTGAYBXNSKF-UHFFFAOYSA-N
MW535.48 g/mol
LogP4.11
Rot. Bonds7

About 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 20918614) has the molecular formula C27H20F3N5O4 and a molecular weight of 535.48 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID20918614
Molecular FormulaC27H20F3N5O4
Molecular Weight535.48 g/mol
Exact Mass535.15
IUPAC Name2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C27H20F3N5O4/c28-27(29,30)19-11-5-6-12-20(19)31-22(36)16-35-21-13-7-4-10-18(21)25(37)34(26(35)38)15-14-23-32-24(33-39-23)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,31,36)
InChIKeyUZPZTGAYBXNSKF-UHFFFAOYSA-N
XLogP4.11
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46278499
2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide
CID 45106636
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 17101227
N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 20918619
N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278498
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
N-(2,3-dimethylphenyl)-2-[7-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,8-dioxo-[1,3]dioxolo[4,5-g]quinazolin-5-yl]acetamide
CID 52910827
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541
3-(2-thiophen-2-ylethyl)-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 95916832
2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 71939768
2-[4-(2-methylpropyl)-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 50768759
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566199

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 20918614) is 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(=O)n(CCc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UZPZTGAYBXNSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O4/c28-27(29,30)19-11-5-6-12-20(19)31-22(36)16-35-21-13-7-4-10-18(21)25(37)34(26(35)38)15-14-23-32-24(33-39-23)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,31,36).
What are the key properties of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 535.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20918614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).