3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide

C24H26N6O4 — CID 163923627

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCCNC3=C4CC=CC(C)=C4C(=O)N=N3)n2)cc1
InChIInChI=1S/C24H26N6O4/c1-15-5-3-6-18-21(15)24(32)29-28-23(18)26-14-4-13-25-19(31)11-12-20-27-22(30-34-20)16-7-9-17(33-2)10-8-16/h3,5,7-10,26H,4,6,11-14H2,1-2H3,(H,25,31)
InChIKeyRCOIGYBJANBLSP-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.25
Rot. Bonds10

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide (PubChem CID 163923627) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide
PubChem CID163923627
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCCNC3=C4CC=CC(C)=C4C(=O)N=N3)n2)cc1
InChIInChI=1S/C24H26N6O4/c1-15-5-3-6-18-21(15)24(32)29-28-23(18)26-14-4-13-25-19(31)11-12-20-27-22(30-34-20)16-7-9-17(33-2)10-8-16/h3,5,7-10,26H,4,6,11-14H2,1-2H3,(H,25,31)
InChIKeyRCOIGYBJANBLSP-UHFFFAOYSA-N
XLogP3.25
TPSA131.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-4aH-phthalazin-1-yl)amino]propyl]propanamide
CID 90853501
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
N-[3-[(4-oxo-4aH-phthalazin-1-yl)amino]propyl]-3-[3-(4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 91576431
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 2028921
N-[3-(azepan-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851549
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 55742496
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30763967
4-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-8H-phthalazin-1-yl)amino]propyl]butanamide
CID 163541595
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
N-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51310068

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide (CID 163923627) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide is COc1ccc(-c2noc(CCC(=O)NCCCNC3=C4CC=CC(C)=C4C(=O)N=N3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide?
The InChIKey is RCOIGYBJANBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15-5-3-6-18-21(15)24(32)29-28-23(18)26-14-4-13-25-19(31)11-12-20-27-22(30-34-20)16-7-9-17(33-2)10-8-16/h3,5,7-10,26H,4,6,11-14H2,1-2H3,(H,25,31).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide has a molecular weight of 462.51 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-4-oxo-8H-phthalazin-1-yl)amino]propyl]propanamide is sourced from PubChem (CID 163923627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).