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

C18H13ClFN5O — CID 8685855

IUPAC3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3ccccc3Cl)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN5O/c1-11-16(23-26-17(11)12-6-8-13(20)9-7-12)10-25-22-18(21-24-25)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3
InChIKeyALZLMOFPPIHCSI-UHFFFAOYSA-N
MW369.79 g/mol
LogP4.14
Rot. Bonds4

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

3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole (PubChem CID 8685855) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
PubChem CID8685855
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC Name3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
SMILESCc1c(Cn2nnc(-c3ccccc3Cl)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN5O/c1-11-16(23-26-17(11)12-6-8-13(20)9-7-12)10-25-22-18(21-24-25)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3
InChIKeyALZLMOFPPIHCSI-UHFFFAOYSA-N
XLogP4.14
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
The IUPAC name of 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole (CID 8685855) is 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole is Cc1c(Cn2nnc(-c3ccccc3Cl)n2)noc1-c1ccc(F)cc1.
What is the InChIKey of 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
The InChIKey is ALZLMOFPPIHCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c1-11-16(23-26-17(11)12-6-8-13(20)9-7-12)10-25-22-18(21-24-25)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3.
What are the key properties of 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole has a molecular weight of 369.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 8685855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).