N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide

C21H21N3O3 — CID 46989332

IUPACN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide
SMILESCCN(Cc1nc(COC)no1)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21N3O3/c1-3-24(12-19-22-18(13-26-2)23-27-19)21(25)20-16-10-6-4-8-14(16)15-9-5-7-11-17(15)20/h4-11,20H,3,12-13H2,1-2H3
InChIKeyPVODMFRATDFJKK-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.38
Rot. Bonds6

About N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide

N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide (PubChem CID 46989332) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide
PubChem CID46989332
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide
SMILESCCN(Cc1nc(COC)no1)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21N3O3/c1-3-24(12-19-22-18(13-26-2)23-27-19)21(25)20-16-10-6-4-8-14(16)15-9-5-7-11-17(15)20/h4-11,20H,3,12-13H2,1-2H3
InChIKeyPVODMFRATDFJKK-UHFFFAOYSA-N
XLogP3.38
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide?
The IUPAC name of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide (CID 46989332) is N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide is CCN(Cc1nc(COC)no1)C(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide?
The InChIKey is PVODMFRATDFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-24(12-19-22-18(13-26-2)23-27-19)21(25)20-16-10-6-4-8-14(16)15-9-5-7-11-17(15)20/h4-11,20H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide?
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 46989332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).