(E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide

C24H20N4O3 — CID 51044215

IUPAC(E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2nc(-c3ccc(C)nc3)no2)cc1
InChIInChI=1S/C24H20N4O3/c1-16-7-11-18(15-25-16)23-27-24(31-28-23)20-5-3-4-6-21(20)26-22(29)14-10-17-8-12-19(30-2)13-9-17/h3-15H,1-2H3,(H,26,29)/b14-10+
InChIKeyKRCYNNOFGQAFOP-GXDHUFHOSA-N
MW412.45 g/mol
LogP4.77
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide (PubChem CID 51044215) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide
PubChem CID51044215
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2nc(-c3ccc(C)nc3)no2)cc1
InChIInChI=1S/C24H20N4O3/c1-16-7-11-18(15-25-16)23-27-24(31-28-23)20-5-3-4-6-21(20)26-22(29)14-10-17-8-12-19(30-2)13-9-17/h3-15H,1-2H3,(H,26,29)/b14-10+
InChIKeyKRCYNNOFGQAFOP-GXDHUFHOSA-N
XLogP4.77
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-6-methylpyridine-3-carboxamide
CID 30334645
(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 30332465
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30334607
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
CID 30332666
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide (CID 51044215) is (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2-c2nc(-c3ccc(C)nc3)no2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide?
The InChIKey is KRCYNNOFGQAFOP-GXDHUFHOSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16-7-11-18(15-25-16)23-27-24(31-28-23)20-5-3-4-6-21(20)26-22(29)14-10-17-8-12-19(30-2)13-9-17/h3-15H,1-2H3,(H,26,29)/b14-10+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide has a molecular weight of 412.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 51044215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).