Isopropyl 4-{5-[2-fluoro-4-(1H-tetrazol-1-yl)phenyl]benzo[d]oxazol-2-yl}piperidine-1-carboxylate

HCID 71257136
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Basic information

Standard SMILES
CC(C)OC(=O)N1CCC(c2nc3cc(-c4ccc(-n5cnnn5)cc4F)ccc3o2)CC1
InChIKey
JXZXEGXPNIEEJB-UHFFFAOYSA-N
Molecular formula
C23H23FN6O3
Average molar mass
450.5 g/mol

Names & identifiers

Preferred name
Isopropyl 4-{5-[2-fluoro-4-(1H-tetrazol-1-yl)phenyl]benzo[d]oxazol-2-yl}piperidine-1-carboxylate
IUPAC
propan-2-yl 4-[5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-1,3-benzoxazol-2-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL14695165JXZXEGXPNIEEJB-UHFFFAOYSA-NIsopropyl 4-{5-[2-fluoro-4-(1H-tetrazol-1-yl)phenyl]benzo[d]oxazol-2-yl}piperidine-1-carboxylate

Database identifiers

PubChem CID
71257136

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
99.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Compound notes

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