3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

C13H17N5O2 — CID 106391732

IUPAC3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ncon2)cc1N
InChIInChI=1S/C13H17N5O2/c1-18(2)11-4-3-9(7-10(11)14)13(19)15-6-5-12-16-8-20-17-12/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,19)
InChIKeySFUVFYGOLGSFQE-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.69
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 106391732) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID106391732
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ncon2)cc1N
InChIInChI=1S/C13H17N5O2/c1-18(2)11-4-3-9(7-10(11)14)13(19)15-6-5-12-16-8-20-17-12/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,19)
InChIKeySFUVFYGOLGSFQE-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182827
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182830
4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106393963
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408880
5-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106406192
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 106391732) is 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is CN(C)c1ccc(C(=O)NCCc2ncon2)cc1N.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is SFUVFYGOLGSFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18(2)11-4-3-9(7-10(11)14)13(19)15-6-5-12-16-8-20-17-12/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,19).
What are the key properties of 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106391732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).