N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

C14H17N3O2 — CID 110323289

IUPACN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-2-6-12(18)15-10-9-13-16-14(17-19-13)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,18)
InChIKeyZJEAORPXZQPOJA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 110323289) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID110323289
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-2-6-12(18)15-10-9-13-16-14(17-19-13)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,18)
InChIKeyZJEAORPXZQPOJA-UHFFFAOYSA-N
XLogP2.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83289198
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70784406

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 110323289) is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is CCCC(=O)NCCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is ZJEAORPXZQPOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-6-12(18)15-10-9-13-16-14(17-19-13)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,18).
What are the key properties of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 110323289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).