N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen

C9H17N3O2 — CID 170583064

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen
SMILESCCCCC(=O)NCc1noc(C)n1.[H][H]
InChIInChI=1S/C9H15N3O2.H2/c1-3-4-5-9(13)10-6-8-11-7(2)14-12-8;/h3-6H2,1-2H3,(H,10,13);1H
InChIKeyGVOXFEWCZHNQNA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.43
Rot. Bonds5

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen (PubChem CID 170583064) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen
PubChem CID170583064
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen
SMILESCCCCC(=O)NCc1noc(C)n1.[H][H]
InChIInChI=1S/C9H15N3O2.H2/c1-3-4-5-9(13)10-6-8-11-7(2)14-12-8;/h3-6H2,1-2H3,(H,10,13);1H
InChIKeyGVOXFEWCZHNQNA-UHFFFAOYSA-N
XLogP1.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen (CID 170583064) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen is CCCCC(=O)NCc1noc(C)n1.[H][H].
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen?
The InChIKey is GVOXFEWCZHNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.H2/c1-3-4-5-9(13)10-6-8-11-7(2)14-12-8;/h3-6H2,1-2H3,(H,10,13);1H.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen has a molecular weight of 199.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen is sourced from PubChem (CID 170583064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).