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

C19H21F2N5O2 — CID 126896543

IUPAC3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)no1
InChIInChI=1S/C19H21F2N5O2/c1-13-8-14(24-28-13)10-25-4-6-26(7-5-25)15-2-3-17-16(9-15)19(23-12-22-17)27-11-18(20)21/h2-3,8-9,12,18H,4-7,10-11H2,1H3
InChIKeyJZTULOUVCIQUAS-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.89
Rot. Bonds6

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

3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 126896543) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID126896543
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)no1
InChIInChI=1S/C19H21F2N5O2/c1-13-8-14(24-28-13)10-25-4-6-26(7-5-25)15-2-3-17-16(9-15)19(23-12-22-17)27-11-18(20)21/h2-3,8-9,12,18H,4-7,10-11H2,1H3
InChIKeyJZTULOUVCIQUAS-UHFFFAOYSA-N
XLogP2.89
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,2-difluoroethoxy)-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126896504
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126896518
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
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126896494
4-(2,2-difluoroethoxy)-6-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126896570
2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 126896472
2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126896530
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557
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
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 126896543) is 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)no1.
What is the InChIKey of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is JZTULOUVCIQUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-13-8-14(24-28-13)10-25-4-6-26(7-5-25)15-2-3-17-16(9-15)19(23-12-22-17)27-11-18(20)21/h2-3,8-9,12,18H,4-7,10-11H2,1H3.
What are the key properties of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 389.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 126896543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).