5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

C9H16N4O2 — CID 154964343

IUPAC5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(CC)NCc1nc(C(N)=O)no1
InChIInChI=1S/C9H16N4O2/c1-3-6(4-2)11-5-7-12-9(8(10)14)13-15-7/h6,11H,3-5H2,1-2H3,(H2,10,14)
InChIKeyLKQGLZLMTPWKIB-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.45
Rot. Bonds6

About 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 154964343) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID154964343
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(CC)NCc1nc(C(N)=O)no1
InChIInChI=1S/C9H16N4O2/c1-3-6(4-2)11-5-7-12-9(8(10)14)13-15-7/h6,11H,3-5H2,1-2H3,(H2,10,14)
InChIKeyLKQGLZLMTPWKIB-UHFFFAOYSA-N
XLogP0.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 154964343) is 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is CCC(CC)NCc1nc(C(N)=O)no1.
What is the InChIKey of 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LKQGLZLMTPWKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-6(4-2)11-5-7-12-9(8(10)14)13-15-7/h6,11H,3-5H2,1-2H3,(H2,10,14).
What are the key properties of 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 154964343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).