3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide

C25H26N6O4 — CID 45226469

IUPAC3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cnn(CC(=O)NC(C)c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C25H26N6O4/c1-17(25-29-24(30-35-25)19-9-4-3-5-10-19)27-23(33)16-31-15-20(14-26-31)28-22(32)13-12-18-8-6-7-11-21(18)34-2/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyJLOPCKHRXYAABJ-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.39
Rot. Bonds10

About 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide

3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide (PubChem CID 45226469) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide
PubChem CID45226469
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cnn(CC(=O)NC(C)c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C25H26N6O4/c1-17(25-29-24(30-35-25)19-9-4-3-5-10-19)27-23(33)16-31-15-20(14-26-31)28-22(32)13-12-18-8-6-7-11-21(18)34-2/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyJLOPCKHRXYAABJ-UHFFFAOYSA-N
XLogP3.39
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide (CID 45226469) is 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide is COc1ccccc1CCC(=O)Nc1cnn(CC(=O)NC(C)c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide?
The InChIKey is JLOPCKHRXYAABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-17(25-29-24(30-35-25)19-9-4-3-5-10-19)27-23(33)16-31-15-20(14-26-31)28-22(32)13-12-18-8-6-7-11-21(18)34-2/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,33)(H,28,32).
What are the key properties of 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide?
3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide has a molecular weight of 474.52 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 45226469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).