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

C12H14N4O2 — CID 106391499

IUPAC4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ncno2)ccc1N
InChIInChI=1S/C12H14N4O2/c1-8-6-9(2-3-10(8)13)12(17)14-5-4-11-15-7-16-18-11/h2-3,6-7H,4-5,13H2,1H3,(H,14,17)
InChIKeyRSOQNIRBHJCCGJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.93
Rot. Bonds4

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

4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 106391499) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID106391499
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ncno2)ccc1N
InChIInChI=1S/C12H14N4O2/c1-8-6-9(2-3-10(8)13)12(17)14-5-4-11-15-7-16-18-11/h2-3,6-7H,4-5,13H2,1H3,(H,14,17)
InChIKeyRSOQNIRBHJCCGJ-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 114184224
3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 113253186
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103744003
ethyl 4-amino-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoate
CID 106407389
4-(3-aminoprop-1-ynyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106406896
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 106391499) is 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1cc(C(=O)NCCc2ncno2)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is RSOQNIRBHJCCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-6-9(2-3-10(8)13)12(17)14-5-4-11-15-7-16-18-11/h2-3,6-7H,4-5,13H2,1H3,(H,14,17).
What are the key properties of 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 106391499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).