4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide

C12H21N3O3 — CID 119058742

IUPAC4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide
SMILESCc1nonc1OCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H21N3O3/c1-9-11(15-18-14-9)17-8-7-13-10(16)5-6-12(2,3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyZBLINZIPZMJELW-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.70
Rot. Bonds6

About 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide

4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide (PubChem CID 119058742) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide
PubChem CID119058742
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide
SMILESCc1nonc1OCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H21N3O3/c1-9-11(15-18-14-9)17-8-7-13-10(16)5-6-12(2,3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyZBLINZIPZMJELW-UHFFFAOYSA-N
XLogP1.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide (CID 119058742) is 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide is Cc1nonc1OCCNC(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide?
The InChIKey is ZBLINZIPZMJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9-11(15-18-14-9)17-8-7-13-10(16)5-6-12(2,3)4/h5-8H2,1-4H3,(H,13,16).
What are the key properties of 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide?
4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide has a molecular weight of 255.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide is sourced from PubChem (CID 119058742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).