N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide

C21H19N5O3 — CID 91819291

IUPACN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)cn1
InChIInChI=1S/C21H19N5O3/c1-2-28-18-10-7-16(13-22-18)20-24-19(29-25-20)14-23-21(27)15-5-8-17(9-6-15)26-11-3-4-12-26/h3-13H,2,14H2,1H3,(H,23,27)
InChIKeyYLUSMDODTGKOBJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.25
Rot. Bonds7

About N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 91819291) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID91819291
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)cn1
InChIInChI=1S/C21H19N5O3/c1-2-28-18-10-7-16(13-22-18)20-24-19(29-25-20)14-23-21(27)15-5-8-17(9-6-15)26-11-3-4-12-26/h3-13H,2,14H2,1H3,(H,23,27)
InChIKeyYLUSMDODTGKOBJ-UHFFFAOYSA-N
XLogP3.25
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91819320
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 91819290
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 100759002
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91819293
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819345
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819179
(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 100758962
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706500
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-methylprop-2-enoxy)benzamide
CID 18524898

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide (CID 91819291) is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide is CCOc1ccc(-c2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)cn1.
What is the InChIKey of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is YLUSMDODTGKOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-2-28-18-10-7-16(13-22-18)20-24-19(29-25-20)14-23-21(27)15-5-8-17(9-6-15)26-11-3-4-12-26/h3-13H,2,14H2,1H3,(H,23,27).
What are the key properties of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 389.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 91819291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).