2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine

C17H22N2O3 — CID 67073483

IUPAC2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
SMILESCOc1ccc(CC2CNCCO2)cc1-c1c(C)noc1C
InChIInChI=1S/C17H22N2O3/c1-11-17(12(2)22-19-11)15-9-13(4-5-16(15)20-3)8-14-10-18-6-7-21-14/h4-5,9,14,18H,6-8,10H2,1-3H3
InChIKeyOXQBKLUTSJRUBK-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.50
Rot. Bonds4

About 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine

2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine (PubChem CID 67073483) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
PubChem CID67073483
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
SMILESCOc1ccc(CC2CNCCO2)cc1-c1c(C)noc1C
InChIInChI=1S/C17H22N2O3/c1-11-17(12(2)22-19-11)15-9-13(4-5-16(15)20-3)8-14-10-18-6-7-21-14/h4-5,9,14,18H,6-8,10H2,1-3H3
InChIKeyOXQBKLUTSJRUBK-UHFFFAOYSA-N
XLogP2.50
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine?
The IUPAC name of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine (CID 67073483) is 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine?
The canonical SMILES for 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine is COc1ccc(CC2CNCCO2)cc1-c1c(C)noc1C.
What is the InChIKey of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine?
The InChIKey is OXQBKLUTSJRUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-17(12(2)22-19-11)15-9-13(4-5-16(15)20-3)8-14-10-18-6-7-21-14/h4-5,9,14,18H,6-8,10H2,1-3H3.
What are the key properties of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine?
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine has a molecular weight of 302.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine is sourced from PubChem (CID 67073483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).