3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C12H14N4O2 — CID 71668568

IUPAC3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESNCCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N4O2/c13-7-6-10(17)14-8-11-15-12(16-18-11)9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H,14,17)
InChIKeyZDTHYSUBPOYRGR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.70
Rot. Bonds5

About 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 71668568) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID71668568
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESNCCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N4O2/c13-7-6-10(17)14-8-11-15-12(16-18-11)9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H,14,17)
InChIKeyZDTHYSUBPOYRGR-UHFFFAOYSA-N
XLogP0.70
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 75271181
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
3-(1,3-benzodioxol-5-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 53277941
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110632195
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 8835515

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 71668568) is 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is NCCC(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is ZDTHYSUBPOYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-7-6-10(17)14-8-11-15-12(16-18-11)9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H,14,17).
What are the key properties of 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 71668568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).