2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C9H16N4O3 — CID 104554098

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(C)C(C)CO)o1
InChIInChI=1S/C9H16N4O3/c1-6(5-14)13(3)4-8(15)10-9-12-11-7(2)16-9/h6,14H,4-5H2,1-3H3,(H,10,12,15)
InChIKeyMLLWMBMRDJIPQV-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.37
Rot. Bonds5

About 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 104554098) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID104554098
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(C)C(C)CO)o1
InChIInChI=1S/C9H16N4O3/c1-6(5-14)13(3)4-8(15)10-9-12-11-7(2)16-9/h6,14H,4-5H2,1-3H3,(H,10,12,15)
InChIKeyMLLWMBMRDJIPQV-UHFFFAOYSA-N
XLogP-0.37
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637991
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 78964193
2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 107426070
2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283999
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 115772236
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631945
2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
CID 94812590
2-amino-2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)butanamide
CID 21154901
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617114
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 104554098) is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN(C)C(C)CO)o1.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is MLLWMBMRDJIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-6(5-14)13(3)4-8(15)10-9-12-11-7(2)16-9/h6,14H,4-5H2,1-3H3,(H,10,12,15).
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 228.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 104554098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).