ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate

C19H22FN3O5 — CID 166308562

IUPACethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCN(C(C(=O)OC)c3cccc(F)c3)CC2)o1
InChIInChI=1S/C19H22FN3O5/c1-3-27-17(24)15-12-21-19(28-15)23-9-7-22(8-10-23)16(18(25)26-2)13-5-4-6-14(20)11-13/h4-6,11-12,16H,3,7-10H2,1-2H3
InChIKeyGGEFTVXHPPKIDV-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.03
Rot. Bonds6

About ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate

ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate (PubChem CID 166308562) has the molecular formula C19H22FN3O5 and a molecular weight of 391.40 g/mol. Its IUPAC name is ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate
PubChem CID166308562
Molecular FormulaC19H22FN3O5
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC Nameethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCN(C(C(=O)OC)c3cccc(F)c3)CC2)o1
InChIInChI=1S/C19H22FN3O5/c1-3-27-17(24)15-12-21-19(28-15)23-9-7-22(8-10-23)16(18(25)26-2)13-5-4-6-14(20)11-13/h4-6,11-12,16H,3,7-10H2,1-2H3
InChIKeyGGEFTVXHPPKIDV-UHFFFAOYSA-N
XLogP2.03
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate with MolForge

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Related Compounds

1-[4-[5-(2-Fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 126750331
1-[4-[5-(3-Fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 126750424
1-[4-[5-(4-Fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 126750448
1-[4-[5-(2-Fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
CID 126758521
1-[4-[5-(3-Fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
CID 126758522
1-[4-[5-(4-Fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
CID 126758834
ethyl 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 134536539
2-[(2S)-2-(difluoromethoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 156774405
ethyl 2-[(2S)-2-(difluoromethoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate
CID 156774435
2-[2-(Difluoromethoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 175152173
Methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate
CID 175258617
Ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylate
CID 11384288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate (CID 166308562) is ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(N2CCN(C(C(=O)OC)c3cccc(F)c3)CC2)o1.
What is the InChIKey of ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate?
The InChIKey is GGEFTVXHPPKIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5/c1-3-27-17(24)15-12-21-19(28-15)23-9-7-22(8-10-23)16(18(25)26-2)13-5-4-6-14(20)11-13/h4-6,11-12,16H,3,7-10H2,1-2H3.
What are the key properties of ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate?
ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate has a molecular weight of 391.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-(3-fluorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 166308562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).