ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate

C14H15F2NO3 — CID 118268538

IUPACethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)CC(c2cc(F)cc(F)c2)=NO1
InChIInChI=1S/C14H15F2NO3/c1-3-14(13(18)19-4-2)8-12(17-20-14)9-5-10(15)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3
InChIKeyHAJXEDITCIYUJF-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.80
Rot. Bonds4

About ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate

ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 118268538) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate
PubChem CID118268538
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Nameethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)CC(c2cc(F)cc(F)c2)=NO1
InChIInChI=1S/C14H15F2NO3/c1-3-14(13(18)19-4-2)8-12(17-20-14)9-5-10(15)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3
InChIKeyHAJXEDITCIYUJF-UHFFFAOYSA-N
XLogP2.80
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-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

ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate
CID 68830519
ethyl 5-ethyl-3-(hydroxymethyl)-4H-1,2-oxazole-5-carboxylate
CID 68834755
ethyl 3-(aminomethyl)-5-[(2,4-difluorophenyl)methyl]-4H-1,2-oxazole-5-carboxylate
CID 163398672
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
CID 59550971
5-(aminomethyl)-3-(3,4-difluorophenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 82371781
ethyl 3-(5-chloro-3-pyridinyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 118270962
ethyl 3-(aminomethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylate
CID 163398294
3-(3,5-difluorophenyl)-5-[1-(trifluoromethylsulfonyloxy)ethyl]-4H-1,2-oxazole-5-carboxylic acid
CID 158606846
ethyl 3-(aminomethyl)-5-[(4-chlorophenyl)methyl]-4H-1,2-oxazole-5-carboxylate
CID 163398510
ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362847
ethyl 3-(aminomethyl)-5-(2-phenylethyl)-4H-1,2-oxazole-5-carboxylate;hydrochloride
CID 163398797
methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate
CID 82371806

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate (CID 118268538) is ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)CC(c2cc(F)cc(F)c2)=NO1.
What is the InChIKey of ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is HAJXEDITCIYUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-3-14(13(18)19-4-2)8-12(17-20-14)9-5-10(15)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate?
ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 283.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 118268538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).