5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole

C19H13F4N5O — CID 8681746

IUPAC5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C19H13F4N5O/c1-11-16(26-29-17(11)12-5-7-15(20)8-6-12)10-28-25-18(24-27-28)13-3-2-4-14(9-13)19(21,22)23/h2-9H,10H2,1H3
InChIKeyDBSOSYWHRUYELZ-UHFFFAOYSA-N
MW403.34 g/mol
LogP4.51
Rot. Bonds4

About 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole

5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole (PubChem CID 8681746) has the molecular formula C19H13F4N5O and a molecular weight of 403.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
PubChem CID8681746
Molecular FormulaC19H13F4N5O
Molecular Weight403.34 g/mol
Exact Mass403.11
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C19H13F4N5O/c1-11-16(26-29-17(11)12-5-7-15(20)8-6-12)10-28-25-18(24-27-28)13-3-2-4-14(9-13)19(21,22)23/h2-9H,10H2,1H3
InChIKeyDBSOSYWHRUYELZ-UHFFFAOYSA-N
XLogP4.51
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Dimethyl-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8002350
3-(3-Chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 155816057
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one
CID 58128749
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide
CID 123489202
4-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 7465888
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 7630692
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598166
5-(4-Fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
CID 8598247
5-Phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681650
5-(4-Fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole
CID 8685078
5-(4-Fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8685485
3-[[5-(2-Chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
CID 8685855

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole (CID 8681746) is 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole is Cc1c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The InChIKey is DBSOSYWHRUYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5O/c1-11-16(26-29-17(11)12-5-7-15(20)8-6-12)10-28-25-18(24-27-28)13-3-2-4-14(9-13)19(21,22)23/h2-9H,10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole has a molecular weight of 403.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 8681746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).