5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole

C16H20N2O4 — CID 175141962

IUPAC5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole
SMILESCOc1ccc(OCc2cc(COC3CCCN3)no2)cc1
InChIInChI=1S/C16H20N2O4/c1-19-13-4-6-14(7-5-13)20-11-15-9-12(18-22-15)10-21-16-3-2-8-17-16/h4-7,9,16-17H,2-3,8,10-11H2,1H3
InChIKeyWERVSADPZGEFDD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.49
Rot. Bonds7

About 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole

5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole (PubChem CID 175141962) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole
PubChem CID175141962
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole
SMILESCOc1ccc(OCc2cc(COC3CCCN3)no2)cc1
InChIInChI=1S/C16H20N2O4/c1-19-13-4-6-14(7-5-13)20-11-15-9-12(18-22-15)10-21-16-3-2-8-17-16/h4-7,9,16-17H,2-3,8,10-11H2,1H3
InChIKeyWERVSADPZGEFDD-UHFFFAOYSA-N
XLogP2.49
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole (CID 175141962) is 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole is COc1ccc(OCc2cc(COC3CCCN3)no2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole?
The InChIKey is WERVSADPZGEFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-19-13-4-6-14(7-5-13)20-11-15-9-12(18-22-15)10-21-16-3-2-8-17-16/h4-7,9,16-17H,2-3,8,10-11H2,1H3.
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole?
5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole has a molecular weight of 304.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 175141962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).