4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide

C20H20N4O3 — CID 36867179

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-14-21-20(27-23-14)16-4-2-15(3-5-16)19(25)22-17-6-8-18(9-7-17)24-10-12-26-13-11-24/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyFZZFROAMQZNORU-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.13
Rot. Bonds4

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 36867179) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID36867179
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-14-21-20(27-23-14)16-4-2-15(3-5-16)19(25)22-17-6-8-18(9-7-17)24-10-12-26-13-11-24/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyFZZFROAMQZNORU-UHFFFAOYSA-N
XLogP3.13
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
CID 25238319
4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzoic acid;tritium monohydride
CID 159314126
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 31861070
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 87025846
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530367
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide (CID 36867179) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide is Cc1noc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is FZZFROAMQZNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-21-20(27-23-14)16-4-2-15(3-5-16)19(25)22-17-6-8-18(9-7-17)24-10-12-26-13-11-24/h2-9H,10-13H2,1H3,(H,22,25).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 36867179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).