[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

C20H20N2O4 — CID 24791303

IUPAC[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2cc(C(=O)N3CCCC3)no2)c2ccccc12
InChIInChI=1S/C20H20N2O4/c1-24-18-8-9-19(16-7-3-2-6-15(16)18)25-13-14-12-17(21-26-14)20(23)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyNREPNSZABCFZJV-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.65
Rot. Bonds5

About [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24791303) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID24791303
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2cc(C(=O)N3CCCC3)no2)c2ccccc12
InChIInChI=1S/C20H20N2O4/c1-24-18-8-9-19(16-7-3-2-6-15(16)18)25-13-14-12-17(21-26-14)20(23)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyNREPNSZABCFZJV-UHFFFAOYSA-N
XLogP3.65
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (CID 24791303) is [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is COc1ccc(OCc2cc(C(=O)N3CCCC3)no2)c2ccccc12.
What is the InChIKey of [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NREPNSZABCFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-18-8-9-19(16-7-3-2-6-15(16)18)25-13-14-12-17(21-26-14)20(23)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3.
What are the key properties of [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 352.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24791303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).