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

C13H15N3O3 — CID 7660248

IUPACN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nonc1-c1ccc(OC)cc1
InChIInChI=1S/C13H15N3O3/c1-3-4-11(17)14-13-12(15-19-16-13)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyPHQJREXAHZSGKJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.48
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide (PubChem CID 7660248) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
PubChem CID7660248
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nonc1-c1ccc(OC)cc1
InChIInChI=1S/C13H15N3O3/c1-3-4-11(17)14-13-12(15-19-16-13)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyPHQJREXAHZSGKJ-UHFFFAOYSA-N
XLogP2.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide (CID 7660248) is N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide is CCCC(=O)Nc1nonc1-c1ccc(OC)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The InChIKey is PHQJREXAHZSGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-4-11(17)14-13-12(15-19-16-13)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide has a molecular weight of 261.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 7660248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).