N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide

C7H11N3O2 — CID 101166742

IUPACN-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
SMILESCCCC(=O)Nc1noc(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-4-6(11)9-7-8-5(2)12-10-7/h3-4H2,1-2H3,(H,9,10,11)
InChIKeyALOTUWLEZLLDFQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.12
Rot. Bonds3

About N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide

N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide (PubChem CID 101166742) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
PubChem CID101166742
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
SMILESCCCC(=O)Nc1noc(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-4-6(11)9-7-8-5(2)12-10-7/h3-4H2,1-2H3,(H,9,10,11)
InChIKeyALOTUWLEZLLDFQ-UHFFFAOYSA-N
XLogP1.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
CID 101166743
N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
CID 170582724
5-methyl-N-propyl-1,2,4-oxadiazol-3-amine
CID 143899590
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 21323611
N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide
CID 46983229
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide
CID 101439413
N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877565
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 11097996
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-[4,6-bis(3-chloropropanoylamino)-1,3,5-triazin-2-yl]-3-chloropropanamide
CID 54343372

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
The IUPAC name of N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide (CID 101166742) is N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide.
What is the SMILES notation for N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
The canonical SMILES for N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide is CCCC(=O)Nc1noc(C)n1.
What is the InChIKey of N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
The InChIKey is ALOTUWLEZLLDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-4-6(11)9-7-8-5(2)12-10-7/h3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide has a molecular weight of 169.18 g/mol, XLogP of 1.12, 3 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)butanamide is sourced from PubChem (CID 101166742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).