N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide

C12H19N3O4 — CID 126440509

IUPACN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide
SMILESCc1nonc1OCCNC(=O)C[C@@H]1CCCOC1
InChIInChI=1S/C12H19N3O4/c1-9-12(15-19-14-9)18-6-4-13-11(16)7-10-3-2-5-17-8-10/h10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyFQJFESHTBRLNQR-JTQLQIEISA-N
MW269.30 g/mol
LogP0.69
Rot. Bonds6

About N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide

N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide (PubChem CID 126440509) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide
PubChem CID126440509
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide
SMILESCc1nonc1OCCNC(=O)C[C@@H]1CCCOC1
InChIInChI=1S/C12H19N3O4/c1-9-12(15-19-14-9)18-6-4-13-11(16)7-10-3-2-5-17-8-10/h10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyFQJFESHTBRLNQR-JTQLQIEISA-N
XLogP0.69
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide?
The IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide (CID 126440509) is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide?
The canonical SMILES for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide is Cc1nonc1OCCNC(=O)C[C@@H]1CCCOC1.
What is the InChIKey of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide?
The InChIKey is FQJFESHTBRLNQR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O4/c1-9-12(15-19-14-9)18-6-4-13-11(16)7-10-3-2-5-17-8-10/h10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide?
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide has a molecular weight of 269.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide is sourced from PubChem (CID 126440509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).