ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate

C16H19NO3 — CID 56665568

IUPACethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCCCc1ccc(-c2nc(C(=O)OCC)co2)cc1
InChIInChI=1S/C16H19NO3/c1-3-5-6-12-7-9-13(10-8-12)15-17-14(11-20-15)16(18)19-4-2/h7-11H,3-6H2,1-2H3
InChIKeyYDAGLEZDYVPQNB-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.86
Rot. Bonds6

About ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate

ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 56665568) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID56665568
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCCCc1ccc(-c2nc(C(=O)OCC)co2)cc1
InChIInChI=1S/C16H19NO3/c1-3-5-6-12-7-9-13(10-8-12)15-17-14(11-20-15)16(18)19-4-2/h7-11H,3-6H2,1-2H3
InChIKeyYDAGLEZDYVPQNB-UHFFFAOYSA-N
XLogP3.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate 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

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 318533
Diphenyloxazole
CID 168750
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-Phenyl-4-oxazolecarboxamide
CID 604678
Ave-8134
CID 11625114
2-(2-Phenyl-1,3-oxazol-4-yl)acetic acid
CID 7131950
(2R)-2-[4-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]phenoxy]propanoic acid
CID 137640612
(2S)-2-[4-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]phenoxy]propanoic acid
CID 137653711
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate (CID 56665568) is ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate is CCCCc1ccc(-c2nc(C(=O)OCC)co2)cc1.
What is the InChIKey of ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is YDAGLEZDYVPQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-5-6-12-7-9-13(10-8-12)15-17-14(11-20-15)16(18)19-4-2/h7-11H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-butylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 56665568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).