N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide

C36H36N4O3 — CID 23379886

IUPACN-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide
SMILESCNc1ccc(-c2ccc(-c3noc(-c4ccc(-c5ccc(NC(=O)CCCCCCC(C)=O)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C36H36N4O3/c1-25(41)7-5-3-4-6-8-34(42)38-33-23-19-29(20-24-33)27-11-15-31(16-12-27)36-39-35(40-43-36)30-13-9-26(10-14-30)28-17-21-32(37-2)22-18-28/h9-24,37H,3-8H2,1-2H3,(H,38,42)
InChIKeyGISDCMQWMVJMPP-UHFFFAOYSA-N
MW572.71 g/mol
LogP8.65
Rot. Bonds13

About N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide

N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide (PubChem CID 23379886) has the molecular formula C36H36N4O3 and a molecular weight of 572.71 g/mol. Its IUPAC name is N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide.

Molecular Properties

Compound NameN-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide
PubChem CID23379886
Molecular FormulaC36H36N4O3
Molecular Weight572.71 g/mol
Exact Mass572.28
IUPAC NameN-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide
SMILESCNc1ccc(-c2ccc(-c3noc(-c4ccc(-c5ccc(NC(=O)CCCCCCC(C)=O)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C36H36N4O3/c1-25(41)7-5-3-4-6-8-34(42)38-33-23-19-29(20-24-33)27-11-15-31(16-12-27)36-39-35(40-43-36)30-13-9-26(10-14-30)28-17-21-32(37-2)22-18-28/h9-24,37H,3-8H2,1-2H3,(H,38,42)
InChIKeyGISDCMQWMVJMPP-UHFFFAOYSA-N
XLogP8.65
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide with MolForge

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Related Compounds

N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide
CID 166048003
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
7-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]heptanamide
CID 119767457
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
N-[4-(methylamino)phenyl]pentanamide
CID 71040406

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide?
The IUPAC name of N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide (CID 23379886) is N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide.
What is the SMILES notation for N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide?
The canonical SMILES for N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide is CNc1ccc(-c2ccc(-c3noc(-c4ccc(-c5ccc(NC(=O)CCCCCCC(C)=O)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide?
The InChIKey is GISDCMQWMVJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O3/c1-25(41)7-5-3-4-6-8-34(42)38-33-23-19-29(20-24-33)27-11-15-31(16-12-27)36-39-35(40-43-36)30-13-9-26(10-14-30)28-17-21-32(37-2)22-18-28/h9-24,37H,3-8H2,1-2H3,(H,38,42).
What are the key properties of N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide?
N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide has a molecular weight of 572.71 g/mol, XLogP of 8.65, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide is sourced from PubChem (CID 23379886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).