ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate

C26H21FN2O4 — CID 66644440

IUPACethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C=Cc2ccccc2)cn1
InChIInChI=1S/C26H21FN2O4/c1-2-31-26(30)23-14-13-21(16-28-23)32-17-22-24(15-8-18-6-4-3-5-7-18)33-29-25(22)19-9-11-20(27)12-10-19/h3-16H,2,17H2,1H3
InChIKeyCSMZDSTUFDPXGW-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.80
Rot. Bonds8

About ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate

ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (PubChem CID 66644440) has the molecular formula C26H21FN2O4 and a molecular weight of 444.46 g/mol. Its IUPAC name is ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
PubChem CID66644440
Molecular FormulaC26H21FN2O4
Molecular Weight444.46 g/mol
Exact Mass444.15
IUPAC Nameethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C=Cc2ccccc2)cn1
InChIInChI=1S/C26H21FN2O4/c1-2-31-26(30)23-14-13-21(16-28-23)32-17-22-24(15-8-18-6-4-3-5-7-18)33-29-25(22)19-9-11-20(27)12-10-19/h3-16H,2,17H2,1H3
InChIKeyCSMZDSTUFDPXGW-UHFFFAOYSA-N
XLogP5.80
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
CID 842092
(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-[4-(pyridin-2-ylmethoxy)-phenyl]-acetic acid
CID 10208599
trans-(1S,3S)-3-[[6-[3-methyl-4-[(2-phenylethylsulfonylamino)methyl]-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 142610742
trans-(1S,3S)-3-[[6-[4-[[(3,5-difluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 150134920
trans-(1S,3S)-3-[[6-[4-[[(4-fluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 152069844
trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155009485
trans-(1S,3S)-3-[[6-[4-[[(3-fluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155153676
trans-(1S,3S)-3-[[6-[4-[[butyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155180705
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
3-[4-[[2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127046667
CYP11B1 Inhibitor C25
CID 132585204
4-Benzyloxy-2-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine
CID 42629071

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (CID 66644440) is ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is CCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C=Cc2ccccc2)cn1.
What is the InChIKey of ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The InChIKey is CSMZDSTUFDPXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4/c1-2-31-26(30)23-14-13-21(16-28-23)32-17-22-24(15-8-18-6-4-3-5-7-18)33-29-25(22)19-9-11-20(27)12-10-19/h3-16H,2,17H2,1H3.
What are the key properties of ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate has a molecular weight of 444.46 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(4-fluorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 66644440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).