2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole

C23H25FN2O2 — CID 45230544

IUPAC2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2CCCC2c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C23H25FN2O2/c1-3-27-22-9-5-4-7-19(22)23-25-20(16(2)28-23)15-26-14-6-8-21(26)17-10-12-18(24)13-11-17/h4-5,7,9-13,21H,3,6,8,14-15H2,1-2H3
InChIKeyWXKZPZKFUJPXHJ-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.52
Rot. Bonds6

About 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole

2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 45230544) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID45230544
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2CCCC2c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C23H25FN2O2/c1-3-27-22-9-5-4-7-19(22)23-25-20(16(2)28-23)15-26-14-6-8-21(26)17-10-12-18(24)13-11-17/h4-5,7,9-13,21H,3,6,8,14-15H2,1-2H3
InChIKeyWXKZPZKFUJPXHJ-UHFFFAOYSA-N
XLogP5.52
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole 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-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453226
2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453219
2-(2,4-difluorophenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45212270
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
3-[(2R)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135890208
2-(2,4-difluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45203290
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 95204232
N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56743559
3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 45227472
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42288009

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 45230544) is 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole is CCOc1ccccc1-c1nc(CN2CCCC2c2ccc(F)cc2)c(C)o1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is WXKZPZKFUJPXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-3-27-22-9-5-4-7-19(22)23-25-20(16(2)28-23)15-26-14-6-8-21(26)17-10-12-18(24)13-11-17/h4-5,7,9-13,21H,3,6,8,14-15H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 380.46 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 45230544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).