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

C18H13F2N5O — CID 8598247

IUPAC5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3ccc(F)cc3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H13F2N5O/c1-11-16(23-26-17(11)12-2-6-14(19)7-3-12)10-25-22-18(21-24-25)13-4-8-15(20)9-5-13/h2-9H,10H2,1H3
InChIKeyGHOOUFARGBRIRU-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.63
Rot. Bonds4

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

5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole (PubChem CID 8598247) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
PubChem CID8598247
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3ccc(F)cc3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H13F2N5O/c1-11-16(23-26-17(11)12-2-6-14(19)7-3-12)10-25-22-18(21-24-25)13-4-8-15(20)9-5-13/h2-9H,10H2,1H3
InChIKeyGHOOUFARGBRIRU-UHFFFAOYSA-N
XLogP3.63
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3,5-Dimethyl-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8002350
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one
CID 58128749
2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 58539343
[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate
CID 58539675
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide
CID 123489202
5-Methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 7630479
N'-(5-phenylisoxazol-3-yl)methylene-5-(4-methylphenyl)isoxazole-3-carbohydrazonamide
CID 129769909
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-Phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681650
5-(4-Fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681746

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole (CID 8598247) is 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole is Cc1c(Cn2nnc(-c3ccc(F)cc3)n2)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole?
The InChIKey is GHOOUFARGBRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-11-16(23-26-17(11)12-2-6-14(19)7-3-12)10-25-22-18(21-24-25)13-4-8-15(20)9-5-13/h2-9H,10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole?
5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole has a molecular weight of 353.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole is sourced from PubChem (CID 8598247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).