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

C19H20N4O3 — CID 43074561

IUPACN-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NCc2nc(C)no2)cc1
InChIInChI=1S/C19H20N4O3/c1-3-25-15-10-8-14(9-11-15)22-19(24)16-6-4-5-7-17(16)20-12-18-21-13(2)23-26-18/h4-11,20H,3,12H2,1-2H3,(H,22,24)
InChIKeyIHGORLNMXNNXRE-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.64
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (PubChem CID 43074561) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
PubChem CID43074561
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NCc2nc(C)no2)cc1
InChIInChI=1S/C19H20N4O3/c1-3-25-15-10-8-14(9-11-15)22-19(24)16-6-4-5-7-17(16)20-12-18-21-13(2)23-26-18/h4-11,20H,3,12H2,1-2H3,(H,22,24)
InChIKeyIHGORLNMXNNXRE-UHFFFAOYSA-N
XLogP3.64
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
CID 11233818
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
ethyl 2-amino-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 115545666
2-ethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562020
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 4941425
ethyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate
CID 4941733
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 33255161
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (CID 43074561) is N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is CCOc1ccc(NC(=O)c2ccccc2NCc2nc(C)no2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The InChIKey is IHGORLNMXNNXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-25-15-10-8-14(9-11-15)22-19(24)16-6-4-5-7-17(16)20-12-18-21-13(2)23-26-18/h4-11,20H,3,12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide has a molecular weight of 352.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 43074561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).