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

C10H18N4O2 — CID 107914821

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCc1nnc(CNCC(=O)NCC(C)C)o1
InChIInChI=1S/C10H18N4O2/c1-7(2)4-12-9(15)5-11-6-10-14-13-8(3)16-10/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyLQPLGUBSHZJJQA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.24
Rot. Bonds6

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 107914821) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID107914821
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCc1nnc(CNCC(=O)NCC(C)C)o1
InChIInChI=1S/C10H18N4O2/c1-7(2)4-12-9(15)5-11-6-10-14-13-8(3)16-10/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyLQPLGUBSHZJJQA-UHFFFAOYSA-N
XLogP0.24
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 103605600
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 9373833
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 107914431
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 106964518
2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 70795304
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 107914835
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
CID 103914210
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
CID 106237182
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114015348

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide (CID 107914821) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide is Cc1nnc(CNCC(=O)NCC(C)C)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is LQPLGUBSHZJJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)4-12-9(15)5-11-6-10-14-13-8(3)16-10/h7,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 226.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107914821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).