ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate

C19H21F2N3O5 — CID 11384288

IUPACethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)OCC)o1
InChIInChI=1S/C19H21F2N3O5/c1-3-5-14(23-16(25)8-11-6-12(20)9-13(21)7-11)17(26)24-19-22-10-15(29-19)18(27)28-4-2/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyCUKCBQPCDHYJDZ-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.60
Rot. Bonds9

About ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate

ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate (PubChem CID 11384288) has the molecular formula C19H21F2N3O5 and a molecular weight of 409.39 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate
PubChem CID11384288
Molecular FormulaC19H21F2N3O5
Molecular Weight409.39 g/mol
Exact Mass409.14
IUPAC Nameethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)OCC)o1
InChIInChI=1S/C19H21F2N3O5/c1-3-5-14(23-16(25)8-11-6-12(20)9-13(21)7-11)17(26)24-19-22-10-15(29-19)18(27)28-4-2/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyCUKCBQPCDHYJDZ-UHFFFAOYSA-N
XLogP2.60
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-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

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide
CID 11224939
2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoic acid (5-acetyl-oxazol-2-yl)-amide
CID 11268961
Ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 11351713
2-[2-[[2-(3,5-Difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid
CID 11361017
Methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 11385713
2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoic acid [5-(1-hydroxy-ethyl)-oxazol-2-yl]-amide
CID 11463158
2-{2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoylamino}-4-trifluoromethyl-oxazole-5-carboxylic acid ethyl ester
CID 69356721
ethyl 2-[(2S)-2-(difluoromethoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate
CID 156774435
Ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate
CID 166308562
ethyl 2-[(5S)-2-oxo-5-phenylpyrrolidin-1-yl]-1,3-oxazole-5-carboxylate
CID 132258385
Ethyl 2-(benzylcarbamoylamino)-1,3-oxazole-5-carboxylate
CID 141029986
Ethyl 2-(3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl)-1,3-oxazole-5-carboxylate
CID 145422954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate (CID 11384288) is ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)OCC)o1.
What is the InChIKey of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate?
The InChIKey is CUKCBQPCDHYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5/c1-3-5-14(23-16(25)8-11-6-12(20)9-13(21)7-11)17(26)24-19-22-10-15(29-19)18(27)28-4-2/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate?
ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate has a molecular weight of 409.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 11384288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).