5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole

C17H12FN5OS — CID 42069312

IUPAC5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C17H12FN5OS/c18-13-8-6-12(7-9-13)15-10-19-16(24-15)11-25-17-20-21-22-23(17)14-4-2-1-3-5-14/h1-10H,11H2
InChIKeyUYALSZQNVATTIV-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.75
Rot. Bonds5

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

5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 42069312) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID42069312
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC Name5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C17H12FN5OS/c18-13-8-6-12(7-9-13)15-10-19-16(24-15)11-25-17-20-21-22-23(17)14-4-2-1-3-5-14/h1-10H,11H2
InChIKeyUYALSZQNVATTIV-UHFFFAOYSA-N
XLogP3.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol
CID 62001067
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794
2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112781180
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 41361416
5-(4-fluorophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 37283498
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 17427958
5-(4-fluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 78812230
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 46693046
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-phenylphosphane
CID 71175511
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole (CID 42069312) is 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole is Fc1ccc(-c2cnc(CSc3nnnn3-c3ccccc3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is UYALSZQNVATTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c18-13-8-6-12(7-9-13)15-10-19-16(24-15)11-25-17-20-21-22-23(17)14-4-2-1-3-5-14/h1-10H,11H2.
What are the key properties of 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 353.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 42069312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).