5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole

C23H19FN4O — CID 73053141

IUPAC5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OCC1CC1
InChIInChI=1S/C23H19FN4O/c24-20-10-4-5-11-21(20)28-23(25-26-27-28)19-9-2-1-7-17(19)18-8-3-6-12-22(18)29-15-16-13-14-16/h1-12,16H,13-15H2
InChIKeyVJBJZSQQDJJRBE-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.92
Rot. Bonds6

About 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole

5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73053141) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73053141
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OCC1CC1
InChIInChI=1S/C23H19FN4O/c24-20-10-4-5-11-21(20)28-23(25-26-27-28)19-9-2-1-7-17(19)18-8-3-6-12-22(18)29-15-16-13-14-16/h1-12,16H,13-15H2
InChIKeyVJBJZSQQDJJRBE-UHFFFAOYSA-N
XLogP4.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (CID 73053141) is 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is Fc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OCC1CC1.
What is the InChIKey of 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is VJBJZSQQDJJRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-20-10-4-5-11-21(20)28-23(25-26-27-28)19-9-2-1-7-17(19)18-8-3-6-12-22(18)29-15-16-13-14-16/h1-12,16H,13-15H2.
What are the key properties of 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 386.43 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(cyclopropylmethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73053141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).