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

C21H30N2O3 — CID 53096286

IUPAC3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2ccc(OCC(C)C)c(OC)c2)on1
InChIInChI=1S/C21H30N2O3/c1-5-17-12-20(26-22-17)18-7-6-10-23(18)13-16-8-9-19(21(11-16)24-4)25-14-15(2)3/h8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3
InChIKeyVGCHVBSLFSEDCE-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.62
Rot. Bonds8

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

3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 53096286) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID53096286
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2ccc(OCC(C)C)c(OC)c2)on1
InChIInChI=1S/C21H30N2O3/c1-5-17-12-20(26-22-17)18-7-6-10-23(18)13-16-8-9-19(21(11-16)24-4)25-14-15(2)3/h8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3
InChIKeyVGCHVBSLFSEDCE-UHFFFAOYSA-N
XLogP4.62
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056191
5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079498
5-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53009623
5-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056291
3-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732388
5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096311
3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53096277
3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53035014
2-methoxy-5-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009641
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-[(2R)-1-[(3-ethoxy-4-propoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 93070186

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 53096286) is 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole is CCc1cc(C2CCCN2Cc2ccc(OCC(C)C)c(OC)c2)on1.
What is the InChIKey of 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is VGCHVBSLFSEDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-5-17-12-20(26-22-17)18-7-6-10-23(18)13-16-8-9-19(21(11-16)24-4)25-14-15(2)3/h8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3.
What are the key properties of 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 358.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 53096286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).