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

C19H16FN5O — CID 8685485

IUPAC5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCc1ccccc1-c1nnn(Cc2noc(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C19H16FN5O/c1-12-5-3-4-6-16(12)19-21-24-25(22-19)11-17-13(2)18(26-23-17)14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3
InChIKeyHXHYJZKDOSYVLK-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.80
Rot. Bonds4

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

5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole (PubChem CID 8685485) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
PubChem CID8685485
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCc1ccccc1-c1nnn(Cc2noc(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C19H16FN5O/c1-12-5-3-4-6-16(12)19-21-24-25(22-19)11-17-13(2)18(26-23-17)14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3
InChIKeyHXHYJZKDOSYVLK-UHFFFAOYSA-N
XLogP3.80
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazole-5-carboxylic acid
CID 44210002
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
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-(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-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681746

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole (CID 8685485) is 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole is Cc1ccccc1-c1nnn(Cc2noc(-c3ccc(F)cc3)c2C)n1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The InChIKey is HXHYJZKDOSYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12-5-3-4-6-16(12)19-21-24-25(22-19)11-17-13(2)18(26-23-17)14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole has a molecular weight of 349.37 g/mol, XLogP of 3.80, 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-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 8685485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).