N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C16H25N3O3 — CID 71993505

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCOC1CC(NC(=O)CCc2nc(C)no2)C12CCCC2
InChIInChI=1S/C16H25N3O3/c1-3-21-13-10-12(16(13)8-4-5-9-16)18-14(20)6-7-15-17-11(2)19-22-15/h12-13H,3-10H2,1-2H3,(H,18,20)
InChIKeyWLQSHEOKHKQOQC-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.16
Rot. Bonds6

About N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 71993505) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID71993505
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCOC1CC(NC(=O)CCc2nc(C)no2)C12CCCC2
InChIInChI=1S/C16H25N3O3/c1-3-21-13-10-12(16(13)8-4-5-9-16)18-14(20)6-7-15-17-11(2)19-22-15/h12-13H,3-10H2,1-2H3,(H,18,20)
InChIKeyWLQSHEOKHKQOQC-UHFFFAOYSA-N
XLogP2.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 71993505) is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is CCOC1CC(NC(=O)CCc2nc(C)no2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is WLQSHEOKHKQOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-21-13-10-12(16(13)8-4-5-9-16)18-14(20)6-7-15-17-11(2)19-22-15/h12-13H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 71993505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).