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

C19H23ClN2O3 — CID 5271691

IUPAC5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2Cl)on1
InChIInChI=1S/C19H23ClN2O3/c1-13-10-15(19-21-7-9-24-19)12-17(20)18(13)23-8-5-3-4-6-16-11-14(2)22-25-16/h10-12H,3-9H2,1-2H3
InChIKeyYEIYUTRUKUEGLR-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.51
Rot. Bonds8

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

5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271691) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271691
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2Cl)on1
InChIInChI=1S/C19H23ClN2O3/c1-13-10-15(19-21-7-9-24-19)12-17(20)18(13)23-8-5-3-4-6-16-11-14(2)22-25-16/h10-12H,3-9H2,1-2H3
InChIKeyYEIYUTRUKUEGLR-UHFFFAOYSA-N
XLogP4.51
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271691) is 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2Cl)on1.
What is the InChIKey of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is YEIYUTRUKUEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-13-10-15(19-21-7-9-24-19)12-17(20)18(13)23-8-5-3-4-6-16-11-14(2)22-25-16/h10-12H,3-9H2,1-2H3.
What are the key properties of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 362.86 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).