5-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole

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Basic information

CAS: 98033-68-2
Standard SMILES: Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2Cl)on1
InChIKey: FCSKOFQQCWLGMV-UHFFFAOYSA-N
Molecular formula: C18H21ClN2O3
Average molar mass: 348.8 g/mol
Monoisotopic mass: 348.1240702

Overview

5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole is an isoxazole compound having a methyl substituent at the 3-position and a 5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl substituent at the 5-position. It has a role as an antiviral agent. It is a member of isoxazoles and a member of monochlorobenzenes.

Names & identifiers

Preferred name: 5-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
IUPAC: 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

Names & synonyms

Win 5333898033-68-2Win-53338IVZ08DAW255-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazoleDTXSID50913499WIN53338Isoxazole, 5-(5-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl-5-{5-[2-Chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole5-(5-(2-CHLORO-4-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)PHENOXY)PENTYL)-3-METHYL-1,2-OXAZOLEIsoxazole, 5-[5-[2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methyl-RefChem:530517

Show more names

DTXCID3013425035-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazoleCompound VII5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazoleUNII-IVZ08DAW25CHEMBL6444

Database identifiers

CAS: 98033-68-2
PubChem CID: 1788

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 56.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 421

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

LogP4.3

Related reactions

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Compound notes

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