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

C18H16N4O3 — CID 31861070

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3ccc(CC(N)=O)cc3)cc2)n1
InChIInChI=1S/C18H16N4O3/c1-11-20-18(25-22-11)14-6-4-13(5-7-14)17(24)21-15-8-2-12(3-9-15)10-16(19)23/h2-9H,10H2,1H3,(H2,19,23)(H,21,24)
InChIKeyLKENVACTHBIJSP-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.33
Rot. Bonds5

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

N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 31861070) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID31861070
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3ccc(CC(N)=O)cc3)cc2)n1
InChIInChI=1S/C18H16N4O3/c1-11-20-18(25-22-11)14-6-4-13(5-7-14)17(24)21-15-8-2-12(3-9-15)10-16(19)23/h2-9H,10H2,1H3,(H2,19,23)(H,21,24)
InChIKeyLKENVACTHBIJSP-UHFFFAOYSA-N
XLogP2.33
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 60533242
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 36867179
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530367
N-[3-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33439699
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
N-(4-iodo-2-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46549727
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 36852413
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide
CID 100785351

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 31861070) is N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)Nc3ccc(CC(N)=O)cc3)cc2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is LKENVACTHBIJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-20-18(25-22-11)14-6-4-13(5-7-14)17(24)21-15-8-2-12(3-9-15)10-16(19)23/h2-9H,10H2,1H3,(H2,19,23)(H,21,24).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 336.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 31861070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).