2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide

C15H25N3O3 — CID 131921433

IUPAC2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2CCOC(C)(C)C2)no1
InChIInChI=1S/C15H25N3O3/c1-10(2)14-17-12(18-21-14)5-7-16-13(19)11-6-8-20-15(3,4)9-11/h10-11H,5-9H2,1-4H3,(H,16,19)
InChIKeyUFNRPFFOKMMAQG-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.06
Rot. Bonds5

About 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide

2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide (PubChem CID 131921433) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
PubChem CID131921433
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2CCOC(C)(C)C2)no1
InChIInChI=1S/C15H25N3O3/c1-10(2)14-17-12(18-21-14)5-7-16-13(19)11-6-8-20-15(3,4)9-11/h10-11H,5-9H2,1-4H3,(H,16,19)
InChIKeyUFNRPFFOKMMAQG-UHFFFAOYSA-N
XLogP2.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide with MolForge

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Related Compounds

(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
(4S)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 125445372
(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 137108620
N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 74244914
2-(oxolan-3-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 131928613
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 124757220
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885829
cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 133264927
1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70742026
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 119066636
(2R)-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 126438337
(4R)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
CID 929884

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide (CID 131921433) is 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide is CC(C)c1nc(CCNC(=O)C2CCOC(C)(C)C2)no1.
What is the InChIKey of 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide?
The InChIKey is UFNRPFFOKMMAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)14-17-12(18-21-14)5-7-16-13(19)11-6-8-20-15(3,4)9-11/h10-11H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide?
2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 131921433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).