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

C13H16N4O2 — CID 47155570

IUPACN-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESCNC(=O)c1cccc(NC(C)c2nc(C)no2)c1
InChIInChI=1S/C13H16N4O2/c1-8(13-16-9(2)17-19-13)15-11-6-4-5-10(7-11)12(18)14-3/h4-8,15H,1-3H3,(H,14,18)
InChIKeyLQRUEGZWGAKMEN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.91
Rot. Bonds4

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

N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide (PubChem CID 47155570) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
PubChem CID47155570
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESCNC(=O)c1cccc(NC(C)c2nc(C)no2)c1
InChIInChI=1S/C13H16N4O2/c1-8(13-16-9(2)17-19-13)15-11-6-4-5-10(7-11)12(18)14-3/h4-8,15H,1-3H3,(H,14,18)
InChIKeyLQRUEGZWGAKMEN-UHFFFAOYSA-N
XLogP1.91
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
CID 107167774
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The IUPAC name of N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide (CID 47155570) is N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide is CNC(=O)c1cccc(NC(C)c2nc(C)no2)c1.
What is the InChIKey of N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The InChIKey is LQRUEGZWGAKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(13-16-9(2)17-19-13)15-11-6-4-5-10(7-11)12(18)14-3/h4-8,15H,1-3H3,(H,14,18).
What are the key properties of N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 47155570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).