3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine

C16H23N3O3 — CID 136563690

IUPAC3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
SMILESCOCc1ccc(C2COCCN2CCc2ccnn2C)o1
InChIInChI=1S/C16H23N3O3/c1-18-13(5-7-17-18)6-8-19-9-10-21-12-15(19)16-4-3-14(22-16)11-20-2/h3-5,7,15H,6,8-12H2,1-2H3
InChIKeyLRYGDMLCYAGAQU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.78
Rot. Bonds6

About 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine

3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine (PubChem CID 136563690) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
PubChem CID136563690
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
SMILESCOCc1ccc(C2COCCN2CCc2ccnn2C)o1
InChIInChI=1S/C16H23N3O3/c1-18-13(5-7-17-18)6-8-19-9-10-21-12-15(19)16-4-3-14(22-16)11-20-2/h3-5,7,15H,6,8-12H2,1-2H3
InChIKeyLRYGDMLCYAGAQU-UHFFFAOYSA-N
XLogP1.78
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The IUPAC name of 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine (CID 136563690) is 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine.
What is the SMILES notation for 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The canonical SMILES for 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine is COCc1ccc(C2COCCN2CCc2ccnn2C)o1.
What is the InChIKey of 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The InChIKey is LRYGDMLCYAGAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18-13(5-7-17-18)6-8-19-9-10-21-12-15(19)16-4-3-14(22-16)11-20-2/h3-5,7,15H,6,8-12H2,1-2H3.
What are the key properties of 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine has a molecular weight of 305.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine is sourced from PubChem (CID 136563690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).