ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate

C18H23NO4 — CID 5271188

IUPACethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCCCCc2cc(C)no2)cc1
InChIInChI=1S/C18H23NO4/c1-3-21-18(20)15-8-10-16(11-9-15)22-12-6-4-5-7-17-13-14(2)19-23-17/h8-11,13H,3-7,12H2,1-2H3
InChIKeySHDAAWSSCFPTDP-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.95
Rot. Bonds9

About ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate

ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate (PubChem CID 5271188) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate
PubChem CID5271188
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Nameethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCCCCc2cc(C)no2)cc1
InChIInChI=1S/C18H23NO4/c1-3-21-18(20)15-8-10-16(11-9-15)22-12-6-4-5-7-17-13-14(2)19-23-17/h8-11,13H,3-7,12H2,1-2H3
InChIKeySHDAAWSSCFPTDP-UHFFFAOYSA-N
XLogP3.95
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-decoxybenzoate
CID 3706251
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
methyl 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxylate
CID 21271267
6-(4-ethoxycarbonylphenoxy)hexylboronic acid
CID 71507401
ethyl 4-(4-pentoxyphenyl)benzoate
CID 70928367
ethyl 4-(3-fluoropropoxy)benzoate
CID 81106633
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
ethyl 4-(2-octoxyethoxy)benzoate
CID 10064743
ethyl 5-tridecyl-1,2-oxazole-3-carboxylate
CID 13169319
2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
CID 150380057
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate?
The IUPAC name of ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate (CID 5271188) is ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate.
What is the SMILES notation for ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate?
The canonical SMILES for ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate is CCOC(=O)c1ccc(OCCCCCc2cc(C)no2)cc1.
What is the InChIKey of ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate?
The InChIKey is SHDAAWSSCFPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-3-21-18(20)15-8-10-16(11-9-15)22-12-6-4-5-7-17-13-14(2)19-23-17/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate?
ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate has a molecular weight of 317.39 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate is sourced from PubChem (CID 5271188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).