[4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate

C17H20N2O3 — CID 167812174

IUPAC[4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate
SMILESO=C(CCC1CCOC1)OCc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C17H20N2O3/c20-17(6-3-14-7-8-21-10-14)22-11-13-1-4-15(5-2-13)16-9-18-12-19-16/h1-2,4-5,9,12,14H,3,6-8,10-11H2,(H,18,19)
InChIKeyYSUUZYIQNHRSJO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.94
Rot. Bonds6

About [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate

[4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate (PubChem CID 167812174) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate.

Molecular Properties

Compound Name[4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate
PubChem CID167812174
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate
SMILESO=C(CCC1CCOC1)OCc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C17H20N2O3/c20-17(6-3-14-7-8-21-10-14)22-11-13-1-4-15(5-2-13)16-9-18-12-19-16/h1-2,4-5,9,12,14H,3,6-8,10-11H2,(H,18,19)
InChIKeyYSUUZYIQNHRSJO-UHFFFAOYSA-N
XLogP2.94
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate 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 [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate?
The IUPAC name of [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate (CID 167812174) is [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate.
What is the SMILES notation for [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate?
The canonical SMILES for [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate is O=C(CCC1CCOC1)OCc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate?
The InChIKey is YSUUZYIQNHRSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-17(6-3-14-7-8-21-10-14)22-11-13-1-4-15(5-2-13)16-9-18-12-19-16/h1-2,4-5,9,12,14H,3,6-8,10-11H2,(H,18,19).
What are the key properties of [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate?
[4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate has a molecular weight of 300.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-yl)phenyl]methyl 3-(oxolan-3-yl)propanoate is sourced from PubChem (CID 167812174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).