3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole

C24H16FN3O2 — CID 71761123

IUPAC3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
SMILESFc1ccc(-c2cc(COc3nc(-c4ccccc4)nc4ccccc34)on2)cc1
InChIInChI=1S/C24H16FN3O2/c25-18-12-10-16(11-13-18)22-14-19(30-28-22)15-29-24-20-8-4-5-9-21(20)26-23(27-24)17-6-2-1-3-7-17/h1-14H,15H2
InChIKeyACLGADGYGNXIGJ-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.67
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole

3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole (PubChem CID 71761123) has the molecular formula C24H16FN3O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
PubChem CID71761123
Molecular FormulaC24H16FN3O2
Molecular Weight397.41 g/mol
Exact Mass397.12
IUPAC Name3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
SMILESFc1ccc(-c2cc(COc3nc(-c4ccccc4)nc4ccccc34)on2)cc1
InChIInChI=1S/C24H16FN3O2/c25-18-12-10-16(11-13-18)22-14-19(30-28-22)15-29-24-20-8-4-5-9-21(20)26-23(27-24)17-6-2-1-3-7-17/h1-14H,15H2
InChIKeyACLGADGYGNXIGJ-UHFFFAOYSA-N
XLogP5.67
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate
CID 141435849
3-(4-chlorophenyl)-5-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 123676741
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
CID 141435855
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline
CID 132573431
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline
CID 86579053

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole (CID 71761123) is 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole is Fc1ccc(-c2cc(COc3nc(-c4ccccc4)nc4ccccc34)on2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
The InChIKey is ACLGADGYGNXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2/c25-18-12-10-16(11-13-18)22-14-19(30-28-22)15-29-24-20-8-4-5-9-21(20)26-23(27-24)17-6-2-1-3-7-17/h1-14H,15H2.
What are the key properties of 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole has a molecular weight of 397.41 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 71761123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).