2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

C9H15N3O2 — CID 103743971

IUPAC2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1ncno1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)8(13)10-5-4-7-11-6-12-14-7/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyXYBSTSQXFMRXKB-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.77
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 103743971) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID103743971
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1ncno1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)8(13)10-5-4-7-11-6-12-14-7/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyXYBSTSQXFMRXKB-UHFFFAOYSA-N
XLogP0.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2,2-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 103603973
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10750333
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 103743971) is 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCc1ncno1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is XYBSTSQXFMRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)8(13)10-5-4-7-11-6-12-14-7/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103743971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).