N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide

C8H13N3O2 — CID 103744048

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ncno1
InChIInChI=1S/C8H13N3O2/c1-2-3-7(12)9-5-4-8-10-6-11-13-8/h6H,2-5H2,1H3,(H,9,12)
InChIKeyFBNKYLIDQHAYRB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.53
Rot. Bonds5

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 103744048) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID103744048
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ncno1
InChIInChI=1S/C8H13N3O2/c1-2-3-7(12)9-5-4-8-10-6-11-13-8/h6H,2-5H2,1H3,(H,9,12)
InChIKeyFBNKYLIDQHAYRB-UHFFFAOYSA-N
XLogP0.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 71876997
3-(acetylamino)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91833949
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexan-2-amine
CID 106395177
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 103744048) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is CCCC(=O)NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is FBNKYLIDQHAYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-7(12)9-5-4-8-10-6-11-13-8/h6H,2-5H2,1H3,(H,9,12).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 103744048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).