5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide

C9H16N4O2 — CID 106237182

IUPAC5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
SMILESCc1nnc(CNCCCCC(N)=O)o1
InChIInChI=1S/C9H16N4O2/c1-7-12-13-9(15-7)6-11-5-3-2-4-8(10)14/h11H,2-6H2,1H3,(H2,10,14)
InChIKeyVJPDNXFNFDOJEX-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.12
Rot. Bonds7

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

5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide (PubChem CID 106237182) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
PubChem CID106237182
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
SMILESCc1nnc(CNCCCCC(N)=O)o1
InChIInChI=1S/C9H16N4O2/c1-7-12-13-9(15-7)6-11-5-3-2-4-8(10)14/h11H,2-6H2,1H3,(H2,10,14)
InChIKeyVJPDNXFNFDOJEX-UHFFFAOYSA-N
XLogP0.12
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 107914431
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
CID 106309920
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 107914835
N,N-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 103605600
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 107914821
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
CID 103914210
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 107914883

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide?
The IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide (CID 106237182) is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide is Cc1nnc(CNCCCCC(N)=O)o1.
What is the InChIKey of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide?
The InChIKey is VJPDNXFNFDOJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7-12-13-9(15-7)6-11-5-3-2-4-8(10)14/h11H,2-6H2,1H3,(H2,10,14).
What are the key properties of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide?
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide has a molecular weight of 212.25 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide is sourced from PubChem (CID 106237182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).