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

C19H26N2O3 — CID 50808669

IUPAC4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H26N2O3/c1-5-18-19(13(2)20-24-18)17-7-6-8-21(17)12-14-9-15(22-3)11-16(10-14)23-4/h9-11,17H,5-8,12H2,1-4H3
InChIKeyPHSYYIBPNVYYIX-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.90
Rot. Bonds6

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

4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (PubChem CID 50808669) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
PubChem CID50808669
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H26N2O3/c1-5-18-19(13(2)20-24-18)17-7-6-8-21(17)12-14-9-15(22-3)11-16(10-14)23-4/h9-11,17H,5-8,12H2,1-4H3
InChIKeyPHSYYIBPNVYYIX-UHFFFAOYSA-N
XLogP3.90
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (CID 50808669) is 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is CCc1onc(C)c1C1CCCN1Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The InChIKey is PHSYYIBPNVYYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-18-19(13(2)20-24-18)17-7-6-8-21(17)12-14-9-15(22-3)11-16(10-14)23-4/h9-11,17H,5-8,12H2,1-4H3.
What are the key properties of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole has a molecular weight of 330.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 50808669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).