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

C17H11ClFN5O — CID 16601584

IUPAC5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
SMILESFc1cccc(-c2nnn(Cc3ncc(-c4ccc(Cl)cc4)o3)n2)c1
InChIInChI=1S/C17H11ClFN5O/c18-13-6-4-11(5-7-13)15-9-20-16(25-15)10-24-22-17(21-23-24)12-2-1-3-14(19)8-12/h1-9H,10H2
InChIKeyWFEGRWRRVSBBFV-UHFFFAOYSA-N
MW355.76 g/mol
LogP3.84
Rot. Bonds4

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

5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole (PubChem CID 16601584) has the molecular formula C17H11ClFN5O and a molecular weight of 355.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
PubChem CID16601584
Molecular FormulaC17H11ClFN5O
Molecular Weight355.76 g/mol
Exact Mass355.06
IUPAC Name5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
SMILESFc1cccc(-c2nnn(Cc3ncc(-c4ccc(Cl)cc4)o3)n2)c1
InChIInChI=1S/C17H11ClFN5O/c18-13-6-4-11(5-7-13)15-9-20-16(25-15)10-24-22-17(21-23-24)12-2-1-3-14(19)8-12/h1-9H,10H2
InChIKeyWFEGRWRRVSBBFV-UHFFFAOYSA-N
XLogP3.84
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole (CID 16601584) is 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole is Fc1cccc(-c2nnn(Cc3ncc(-c4ccc(Cl)cc4)o3)n2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
The InChIKey is WFEGRWRRVSBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O/c18-13-6-4-11(5-7-13)15-9-20-16(25-15)10-24-22-17(21-23-24)12-2-1-3-14(19)8-12/h1-9H,10H2.
What are the key properties of 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole has a molecular weight of 355.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 16601584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).