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

C20H16F3N5O — CID 46552321

IUPAC2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)co2)c(C)c1
InChIInChI=1S/C20H16F3N5O/c1-12-6-7-17(13(2)8-12)19-24-16(11-29-19)10-28-26-18(25-27-28)14-4-3-5-15(9-14)20(21,22)23/h3-9,11H,10H2,1-2H3
InChIKeyAKJBYJLTHOTLSB-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.68
Rot. Bonds4

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

2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole (PubChem CID 46552321) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole
PubChem CID46552321
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)co2)c(C)c1
InChIInChI=1S/C20H16F3N5O/c1-12-6-7-17(13(2)8-12)19-24-16(11-29-19)10-28-26-18(25-27-28)14-4-3-5-15(9-14)20(21,22)23/h3-9,11H,10H2,1-2H3
InChIKeyAKJBYJLTHOTLSB-UHFFFAOYSA-N
XLogP4.68
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
2-(4-methoxyphenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 27914512
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408832
2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole
CID 24675149
2-(2-ethoxyethyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
CID 78788558
4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 51076546
4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 67407533
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
2-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-oxazole
CID 24675633
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 38907660
N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 43058370

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole (CID 46552321) is 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole is Cc1ccc(-c2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)co2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole?
The InChIKey is AKJBYJLTHOTLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-12-6-7-17(13(2)8-12)19-24-16(11-29-19)10-28-26-18(25-27-28)14-4-3-5-15(9-14)20(21,22)23/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole?
2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole has a molecular weight of 399.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 46552321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).