2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide

C8H13N3O2 — CID 101166743

IUPAC2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)no1
InChIInChI=1S/C8H13N3O2/c1-5-9-7(11-13-5)10-6(12)8(2,3)4/h1-4H3,(H,10,11,12)
InChIKeyWXVPVGQIMFXZEA-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.36
Rot. Bonds1

About 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide

2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide (PubChem CID 101166743) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
PubChem CID101166743
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)no1
InChIInChI=1S/C8H13N3O2/c1-5-9-7(11-13-5)10-6(12)8(2,3)4/h1-4H3,(H,10,11,12)
InChIKeyWXVPVGQIMFXZEA-UHFFFAOYSA-N
XLogP1.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide
CID 101439413
N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
CID 101166742
N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 15212148
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 11097996
2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide
CID 141245355
2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 11537451
5-methyl-N-propyl-1,2,4-oxadiazol-3-amine
CID 143899590
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
2-methyl-2-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396588
2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide
CID 39992264
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide (CID 101166743) is 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide is Cc1nc(NC(=O)C(C)(C)C)no1.
What is the InChIKey of 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
The InChIKey is WXVPVGQIMFXZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-9-7(11-13-5)10-6(12)8(2,3)4/h1-4H3,(H,10,11,12).
What are the key properties of 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide has a molecular weight of 183.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 101166743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).