5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole

C19H23ClN2O3 — CID 5271217

IUPAC5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCCOc2ccc(C3=NCCO3)cc2Cl)on1
InChIInChI=1S/C19H23ClN2O3/c1-14-12-16(25-22-14)6-4-2-3-5-10-23-18-8-7-15(13-17(18)20)19-21-9-11-24-19/h7-8,12-13H,2-6,9-11H2,1H3
InChIKeyLRXNLBZTVRGIRO-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.60
Rot. Bonds9

About 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole

5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole (PubChem CID 5271217) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole
PubChem CID5271217
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCCOc2ccc(C3=NCCO3)cc2Cl)on1
InChIInChI=1S/C19H23ClN2O3/c1-14-12-16(25-22-14)6-4-2-3-5-10-23-18-8-7-15(13-17(18)20)19-21-9-11-24-19/h7-8,12-13H,2-6,9-11H2,1H3
InChIKeyLRXNLBZTVRGIRO-UHFFFAOYSA-N
XLogP4.60
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole (CID 5271217) is 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCCOc2ccc(C3=NCCO3)cc2Cl)on1.
What is the InChIKey of 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole?
The InChIKey is LRXNLBZTVRGIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-14-12-16(25-22-14)6-4-2-3-5-10-23-18-8-7-15(13-17(18)20)19-21-9-11-24-19/h7-8,12-13H,2-6,9-11H2,1H3.
What are the key properties of 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole?
5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole has a molecular weight of 362.86 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).