5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole

C21H26N2O3 — CID 5271231

IUPAC5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESC=CCc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C21H26N2O3/c1-3-7-17-15-18(21-22-11-13-25-21)9-10-20(17)24-12-6-4-5-8-19-14-16(2)23-26-19/h3,9-10,14-15H,1,4-8,11-13H2,2H3
InChIKeyQNFVCRZEOACUMQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.28
Rot. Bonds10

About 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271231) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271231
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESC=CCc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C21H26N2O3/c1-3-7-17-15-18(21-22-11-13-25-21)9-10-20(17)24-12-6-4-5-8-19-14-16(2)23-26-19/h3,9-10,14-15H,1,4-8,11-13H2,2H3
InChIKeyQNFVCRZEOACUMQ-UHFFFAOYSA-N
XLogP4.28
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]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-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271231) is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole is C=CCc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1.
What is the InChIKey of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is QNFVCRZEOACUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-7-17-15-18(21-22-11-13-25-21)9-10-20(17)24-12-6-4-5-8-19-14-16(2)23-26-19/h3,9-10,14-15H,1,4-8,11-13H2,2H3.
What are the key properties of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 354.45 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).