1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone

C20H21N3O4 — CID 75474958

IUPAC1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
SMILESCOCc1nc(C2COCCN2C(=O)Cc2ccc3ccccc3c2)no1
InChIInChI=1S/C20H21N3O4/c1-25-13-18-21-20(22-27-18)17-12-26-9-8-23(17)19(24)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,17H,8-9,11-13H2,1H3
InChIKeyQSFOTQAAXGFXTD-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.51
Rot. Bonds5

About 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone

1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone (PubChem CID 75474958) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
PubChem CID75474958
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
SMILESCOCc1nc(C2COCCN2C(=O)Cc2ccc3ccccc3c2)no1
InChIInChI=1S/C20H21N3O4/c1-25-13-18-21-20(22-27-18)17-12-26-9-8-23(17)19(24)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,17H,8-9,11-13H2,1H3
InChIKeyQSFOTQAAXGFXTD-UHFFFAOYSA-N
XLogP2.51
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone (CID 75474958) is 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone is COCc1nc(C2COCCN2C(=O)Cc2ccc3ccccc3c2)no1.
What is the InChIKey of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone?
The InChIKey is QSFOTQAAXGFXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-13-18-21-20(22-27-18)17-12-26-9-8-23(17)19(24)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,17H,8-9,11-13H2,1H3.
What are the key properties of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone?
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone has a molecular weight of 367.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 75474958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).