N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C25H20N4O3 — CID 42111240

IUPACN-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(-c3nnc(-c4ccccc4)o3)c3ccccc32)c1
InChIInChI=1S/C25H20N4O3/c1-31-19-11-7-10-18(14-19)26-23(30)16-29-15-21(20-12-5-6-13-22(20)29)25-28-27-24(32-25)17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,26,30)
InChIKeyYXGOMLIPUXXNAD-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.01
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 42111240) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID42111240
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(-c3nnc(-c4ccccc4)o3)c3ccccc32)c1
InChIInChI=1S/C25H20N4O3/c1-31-19-11-7-10-18(14-19)26-23(30)16-29-15-21(20-12-5-6-13-22(20)29)25-28-27-24(32-25)17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,26,30)
InChIKeyYXGOMLIPUXXNAD-UHFFFAOYSA-N
XLogP5.01
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 42111240) is N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is COc1cccc(NC(=O)Cn2cc(-c3nnc(-c4ccccc4)o3)c3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is YXGOMLIPUXXNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-31-19-11-7-10-18(14-19)26-23(30)16-29-15-21(20-12-5-6-13-22(20)29)25-28-27-24(32-25)17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,26,30).
What are the key properties of N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 424.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 42111240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).