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

C9H16N4O2 — CID 83885774

IUPACN-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1nnc(NC(C)C)o1
InChIInChI=1S/C9H16N4O2/c1-6(2)10-9-12-11-8(15-9)5-13(4)7(3)14/h6H,5H2,1-4H3,(H,10,12)
InChIKeyHFRLACCASBZJPK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.87
Rot. Bonds4

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

N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 83885774) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID83885774
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1nnc(NC(C)C)o1
InChIInChI=1S/C9H16N4O2/c1-6(2)10-9-12-11-8(15-9)5-13(4)7(3)14/h6H,5H2,1-4H3,(H,10,12)
InChIKeyHFRLACCASBZJPK-UHFFFAOYSA-N
XLogP0.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 83885774) is N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide is CC(=O)N(C)Cc1nnc(NC(C)C)o1.
What is the InChIKey of N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is HFRLACCASBZJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)10-9-12-11-8(15-9)5-13(4)7(3)14/h6H,5H2,1-4H3,(H,10,12).
What are the key properties of N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 212.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 83885774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).