3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide

C22H23N3O3 — CID 72689157

IUPAC3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide
SMILESCC(=CC(=O)Nc1ccc(OCc2noc(C)n2)cc1)CCc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(8-9-18-6-4-3-5-7-18)14-22(26)24-19-10-12-20(13-11-19)27-15-21-23-17(2)28-25-21/h3-7,10-14H,8-9,15H2,1-2H3,(H,24,26)
InChIKeyCWTWWULPZOAWIU-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.47
Rot. Bonds8

About 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide

3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide (PubChem CID 72689157) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide
PubChem CID72689157
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide
SMILESCC(=CC(=O)Nc1ccc(OCc2noc(C)n2)cc1)CCc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(8-9-18-6-4-3-5-7-18)14-22(26)24-19-10-12-20(13-11-19)27-15-21-23-17(2)28-25-21/h3-7,10-14H,8-9,15H2,1-2H3,(H,24,26)
InChIKeyCWTWWULPZOAWIU-UHFFFAOYSA-N
XLogP4.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide
CID 119780074
N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
CID 72687029
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-quinolin-6-ylacetamide
CID 166393885
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55654311
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide?
The IUPAC name of 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide (CID 72689157) is 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide.
What is the SMILES notation for 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide?
The canonical SMILES for 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide is CC(=CC(=O)Nc1ccc(OCc2noc(C)n2)cc1)CCc1ccccc1.
What is the InChIKey of 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide?
The InChIKey is CWTWWULPZOAWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(8-9-18-6-4-3-5-7-18)14-22(26)24-19-10-12-20(13-11-19)27-15-21-23-17(2)28-25-21/h3-7,10-14H,8-9,15H2,1-2H3,(H,24,26).
What are the key properties of 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide?
3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide has a molecular weight of 377.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide is sourced from PubChem (CID 72689157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).