3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione

C20H17F2N5O4 — CID 155365514

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione
SMILESCOCCn1c(=O)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c(=O)c2ccccc21
InChIInChI=1S/C20H17F2N5O4/c1-30-9-8-26-15-5-3-2-4-14(15)19(28)27(20(26)29)11-13-7-6-12(10-23-13)17-24-25-18(31-17)16(21)22/h2-7,10,16H,8-9,11H2,1H3
InChIKeyOPQGEXMZADKAAY-UHFFFAOYSA-N
MW429.38 g/mol
LogP2.24
Rot. Bonds7

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione (PubChem CID 155365514) has the molecular formula C20H17F2N5O4 and a molecular weight of 429.38 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione
PubChem CID155365514
Molecular FormulaC20H17F2N5O4
Molecular Weight429.38 g/mol
Exact Mass429.12
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione
SMILESCOCCn1c(=O)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c(=O)c2ccccc21
InChIInChI=1S/C20H17F2N5O4/c1-30-9-8-26-15-5-3-2-4-14(15)19(28)27(20(26)29)11-13-7-6-12(10-23-13)17-24-25-18(31-17)16(21)22/h2-7,10,16H,8-9,11H2,1H3
InChIKeyOPQGEXMZADKAAY-UHFFFAOYSA-N
XLogP2.24
TPSA105.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methylquinazoline-2,4-dione
CID 155365671
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-7-(furan-2-yl)-1-methylquinazoline-2,4-dione
CID 155730255
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-7-pyridin-4-ylquinazoline-2,4-dione
CID 155730212
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one
CID 167419709
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one
CID 155730017
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one
CID 178112204
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzimidazol-2-one
CID 155729347
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364
2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162767597
2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443333
6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine
CID 155729865

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione (CID 155365514) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione is COCCn1c(=O)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c(=O)c2ccccc21.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione?
The InChIKey is OPQGEXMZADKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O4/c1-30-9-8-26-15-5-3-2-4-14(15)19(28)27(20(26)29)11-13-7-6-12(10-23-13)17-24-25-18(31-17)16(21)22/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione?
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione has a molecular weight of 429.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione is sourced from PubChem (CID 155365514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).