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

C17H11BrFN5O — CID 24667575

IUPAC4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2nc(Cn3nnc(-c4ccc(Br)cc4)n3)co2)cc1
InChIInChI=1S/C17H11BrFN5O/c18-13-5-1-11(2-6-13)16-21-23-24(22-16)9-15-10-25-17(20-15)12-3-7-14(19)8-4-12/h1-8,10H,9H2
InChIKeyMSCJVRALHJGMHQ-UHFFFAOYSA-N
MW400.21 g/mol
LogP3.94
Rot. Bonds4

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

4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole (PubChem CID 24667575) has the molecular formula C17H11BrFN5O and a molecular weight of 400.21 g/mol. Its IUPAC name is 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole
PubChem CID24667575
Molecular FormulaC17H11BrFN5O
Molecular Weight400.21 g/mol
Exact Mass399.01
IUPAC Name4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2nc(Cn3nnc(-c4ccc(Br)cc4)n3)co2)cc1
InChIInChI=1S/C17H11BrFN5O/c18-13-5-1-11(2-6-13)16-21-23-24(22-16)9-15-10-25-17(20-15)12-3-7-14(19)8-4-12/h1-8,10H,9H2
InChIKeyMSCJVRALHJGMHQ-UHFFFAOYSA-N
XLogP3.94
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole (CID 24667575) is 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole is Fc1ccc(-c2nc(Cn3nnc(-c4ccc(Br)cc4)n3)co2)cc1.
What is the InChIKey of 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is MSCJVRALHJGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5O/c18-13-5-1-11(2-6-13)16-21-23-24(22-16)9-15-10-25-17(20-15)12-3-7-14(19)8-4-12/h1-8,10H,9H2.
What are the key properties of 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole?
4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 400.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 24667575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).