5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide

C13H16N4O2 — CID 117061449

IUPAC5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-9(10-7-5-4-6-8-10)14-12(18)11-15-13(17(2)3)19-16-11/h4-9H,1-3H3,(H,14,18)
InChIKeyCYEFIINKMSTIPM-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.63
Rot. Bonds4

About 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide

5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 117061449) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID117061449
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-9(10-7-5-4-6-8-10)14-12(18)11-15-13(17(2)3)19-16-11/h4-9H,1-3H3,(H,14,18)
InChIKeyCYEFIINKMSTIPM-UHFFFAOYSA-N
XLogP1.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 96565129
6-(dimethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 84575144
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478219

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide (CID 117061449) is 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide is CC(NC(=O)c1noc(N(C)C)n1)c1ccccc1.
What is the InChIKey of 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CYEFIINKMSTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(10-7-5-4-6-8-10)14-12(18)11-15-13(17(2)3)19-16-11/h4-9H,1-3H3,(H,14,18).
What are the key properties of 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide?
5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 117061449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).