2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide

C8H13N3O2 — CID 137394990

IUPAC2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1cnon1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)7(12)9-4-6-5-10-13-11-6/h5H,4H2,1-3H3,(H,9,12)
InChIKeyDJBSWJQKDNBWKP-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.73
Rot. Bonds2

About 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide

2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide (PubChem CID 137394990) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
PubChem CID137394990
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1cnon1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)7(12)9-4-6-5-10-13-11-6/h5H,4H2,1-3H3,(H,9,12)
InChIKeyDJBSWJQKDNBWKP-UHFFFAOYSA-N
XLogP0.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
CID 146104788
2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide
CID 130396721
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749201
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
2,2-dimethyl-3-(1,2-oxazol-3-ylmethylamino)-3-oxopropanoic acid
CID 82820653
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide (CID 137394990) is 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide is CC(C)(C)C(=O)NCc1cnon1.
What is the InChIKey of 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is DJBSWJQKDNBWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)7(12)9-4-6-5-10-13-11-6/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 137394990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).