3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C19H26N2O4 — CID 53096277

IUPAC3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2ccc(OC)c(OC)c2OC)on1
InChIInChI=1S/C19H26N2O4/c1-5-14-11-17(25-20-14)15-7-6-10-21(15)12-13-8-9-16(22-2)19(24-4)18(13)23-3/h8-9,11,15H,5-7,10,12H2,1-4H3
InChIKeyBHDCNLCGDABHLP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.60
Rot. Bonds7

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

3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 53096277) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID53096277
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2ccc(OC)c(OC)c2OC)on1
InChIInChI=1S/C19H26N2O4/c1-5-14-11-17(25-20-14)15-7-6-10-21(15)12-13-8-9-16(22-2)19(24-4)18(13)23-3/h8-9,11,15H,5-7,10,12H2,1-4H3
InChIKeyBHDCNLCGDABHLP-UHFFFAOYSA-N
XLogP3.60
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53096286
2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 95079416
3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53035014
4-chloro-2-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009626
4-bromo-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 93070226
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056275
5-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53009623
5-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53034997
5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 95056225
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 53096277) is 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is CCc1cc(C2CCCN2Cc2ccc(OC)c(OC)c2OC)on1.
What is the InChIKey of 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is BHDCNLCGDABHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-14-11-17(25-20-14)15-7-6-10-21(15)12-13-8-9-16(22-2)19(24-4)18(13)23-3/h8-9,11,15H,5-7,10,12H2,1-4H3.
What are the key properties of 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 346.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 53096277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).