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

C18H14FN5O — CID 8685078

IUPAC5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3ccccc3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-12-16(22-25-17(12)13-7-9-15(19)10-8-13)11-24-21-18(20-23-24)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeySGJFHNHQCIFNCO-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.49
Rot. Bonds4

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

5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole (PubChem CID 8685078) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole
PubChem CID8685078
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3ccccc3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-12-16(22-25-17(12)13-7-9-15(19)10-8-13)11-24-21-18(20-23-24)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeySGJFHNHQCIFNCO-UHFFFAOYSA-N
XLogP3.49
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole (CID 8685078) is 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole is Cc1c(Cn2nnc(-c3ccccc3)n2)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole?
The InChIKey is SGJFHNHQCIFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-12-16(22-25-17(12)13-7-9-15(19)10-8-13)11-24-21-18(20-23-24)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole has a molecular weight of 335.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 8685078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).