5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole

C19H26N2O3 — CID 139929675

IUPAC5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole
SMILESCOCOC(CCCN1CCCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H26N2O3/c1-22-15-23-18(10-7-13-21-11-5-6-12-21)19-14-17(20-24-19)16-8-3-2-4-9-16/h2-4,8-9,14,18H,5-7,10-13,15H2,1H3
InChIKeyQCFZSWODZUIJHU-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.88
Rot. Bonds9

About 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole

5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole (PubChem CID 139929675) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole
PubChem CID139929675
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole
SMILESCOCOC(CCCN1CCCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H26N2O3/c1-22-15-23-18(10-7-13-21-11-5-6-12-21)19-14-17(20-24-19)16-8-3-2-4-9-16/h2-4,8-9,14,18H,5-7,10-13,15H2,1H3
InChIKeyQCFZSWODZUIJHU-UHFFFAOYSA-N
XLogP3.88
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole (CID 139929675) is 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole is COCOC(CCCN1CCCC1)c1cc(-c2ccccc2)no1.
What is the InChIKey of 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole?
The InChIKey is QCFZSWODZUIJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-22-15-23-18(10-7-13-21-11-5-6-12-21)19-14-17(20-24-19)16-8-3-2-4-9-16/h2-4,8-9,14,18H,5-7,10-13,15H2,1H3.
What are the key properties of 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole?
5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole has a molecular weight of 330.43 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methoxymethoxy)-4-pyrrolidin-1-ylbutyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 139929675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).