3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole

C19H15F3N4O2 — CID 151607125

IUPAC3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1C=c2cc(-c3cccc(OC(F)(F)F)c3)ccc2=NC1
InChIInChI=1S/C19H15F3N4O2/c1-12-18(25-28-24-12)10-26-9-15-7-14(5-6-17(15)23-11-26)13-3-2-4-16(8-13)27-19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyQLSGBHGKBMVDMK-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.77
Rot. Bonds4

About 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole

3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole (PubChem CID 151607125) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole
PubChem CID151607125
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1C=c2cc(-c3cccc(OC(F)(F)F)c3)ccc2=NC1
InChIInChI=1S/C19H15F3N4O2/c1-12-18(25-28-24-12)10-26-9-15-7-14(5-6-17(15)23-11-26)13-3-2-4-16(8-13)27-19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyQLSGBHGKBMVDMK-UHFFFAOYSA-N
XLogP2.77
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole (CID 151607125) is 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole is Cc1nonc1CN1C=c2cc(-c3cccc(OC(F)(F)F)c3)ccc2=NC1.
What is the InChIKey of 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is QLSGBHGKBMVDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-12-18(25-28-24-12)10-26-9-15-7-14(5-6-17(15)23-11-26)13-3-2-4-16(8-13)27-19(20,21)22/h2-9H,10-11H2,1H3.
What are the key properties of 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole?
3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 388.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 151607125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).