2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C18H17F5N6O2 — CID 126896472

IUPAC2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)COc1ncnc2ccc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)cc12
InChIInChI=1S/C18H17F5N6O2/c19-14(20)9-30-16-12-7-11(1-2-13(12)24-10-25-16)29-5-3-28(4-6-29)8-15-26-27-17(31-15)18(21,22)23/h1-2,7,10,14H,3-6,8-9H2
InChIKeyZAHVZRKVCXXMTG-UHFFFAOYSA-N
MW444.36 g/mol
LogP3.00
Rot. Bonds6

About 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 126896472) has the molecular formula C18H17F5N6O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID126896472
Molecular FormulaC18H17F5N6O2
Molecular Weight444.36 g/mol
Exact Mass444.13
IUPAC Name2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)COc1ncnc2ccc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)cc12
InChIInChI=1S/C18H17F5N6O2/c19-14(20)9-30-16-12-7-11(1-2-13(12)24-10-25-16)29-5-3-28(4-6-29)8-15-26-27-17(31-15)18(21,22)23/h1-2,7,10,14H,3-6,8-9H2
InChIKeyZAHVZRKVCXXMTG-UHFFFAOYSA-N
XLogP3.00
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126896518
2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126896530
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 126896543
4-(2,2-difluoroethoxy)-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126896504
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126896494
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171702256
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
CID 126896534
4-(2,2-difluoroethoxy)-6-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126896570
4-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
CID 126896480
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557
3-[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]pyrrolidin-2-one
CID 126896553
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 126896472) is 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)COc1ncnc2ccc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)cc12.
What is the InChIKey of 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is ZAHVZRKVCXXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N6O2/c19-14(20)9-30-16-12-7-11(1-2-13(12)24-10-25-16)29-5-3-28(4-6-29)8-15-26-27-17(31-15)18(21,22)23/h1-2,7,10,14H,3-6,8-9H2.
What are the key properties of 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 444.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126896472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).