4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide

C13H17N5O2 — CID 92606092

IUPAC4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)C[C@@H](NC(=O)c1nonc1N)c1ccccc1
InChIInChI=1S/C13H17N5O2/c1-18(2)8-10(9-6-4-3-5-7-9)15-13(19)11-12(14)17-20-16-11/h3-7,10H,8H2,1-2H3,(H2,14,17)(H,15,19)/t10-/m1/s1
InChIKeyBORKJJBAPUUVFB-SNVBAGLBSA-N
MW275.31 g/mol
LogP0.68
Rot. Bonds5

About 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 92606092) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID92606092
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)C[C@@H](NC(=O)c1nonc1N)c1ccccc1
InChIInChI=1S/C13H17N5O2/c1-18(2)8-10(9-6-4-3-5-7-9)15-13(19)11-12(14)17-20-16-11/h3-7,10H,8H2,1-2H3,(H2,14,17)(H,15,19)/t10-/m1/s1
InChIKeyBORKJJBAPUUVFB-SNVBAGLBSA-N
XLogP0.68
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide (CID 92606092) is 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide is CN(C)C[C@@H](NC(=O)c1nonc1N)c1ccccc1.
What is the InChIKey of 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BORKJJBAPUUVFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18(2)8-10(9-6-4-3-5-7-9)15-13(19)11-12(14)17-20-16-11/h3-7,10H,8H2,1-2H3,(H2,14,17)(H,15,19)/t10-/m1/s1.
What are the key properties of 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 92606092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).