2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole

C20H18FN5OS — CID 24667836

IUPAC2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
SMILESCC(C)c1ccc(-n2nnnc2SCc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN5OS/c1-13(2)14-5-9-18(10-6-14)26-20(23-24-25-26)28-12-17-11-27-19(22-17)15-3-7-16(21)8-4-15/h3-11,13H,12H2,1-2H3
InChIKeyJACUZRPSMZNDSK-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.87
Rot. Bonds6

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

2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole (PubChem CID 24667836) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
PubChem CID24667836
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
SMILESCC(C)c1ccc(-n2nnnc2SCc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN5OS/c1-13(2)14-5-9-18(10-6-14)26-20(23-24-25-26)28-12-17-11-27-19(22-17)15-3-7-16(21)8-4-15/h3-11,13H,12H2,1-2H3
InChIKeyJACUZRPSMZNDSK-UHFFFAOYSA-N
XLogP4.87
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 24666683
4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 8804352
4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 24668922
2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 33278936
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094
1-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7561394
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576
4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 31825741
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole
CID 7561389
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 33068643
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole (CID 24667836) is 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole is CC(C)c1ccc(-n2nnnc2SCc2coc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The InChIKey is JACUZRPSMZNDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-13(2)14-5-9-18(10-6-14)26-20(23-24-25-26)28-12-17-11-27-19(22-17)15-3-7-16(21)8-4-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole has a molecular weight of 395.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 24667836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).