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

C12H14N4O2 — CID 83624712

IUPAC2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N4O2/c1-8(13)12(17)14-7-10-15-11(16-18-10)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)
InChIKeyHKZYPDYSLHVXQV-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.70
Rot. Bonds4

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

2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 83624712) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID83624712
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N4O2/c1-8(13)12(17)14-7-10-15-11(16-18-10)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)
InChIKeyHKZYPDYSLHVXQV-UHFFFAOYSA-N
XLogP0.70
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 120785416
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid
CID 145151152
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 50874997
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97267518
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
CID 132653294
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 83624712) is 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(N)C(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is HKZYPDYSLHVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(13)12(17)14-7-10-15-11(16-18-10)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-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, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 83624712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).