5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide

C26H20N4O3 — CID 134153448

IUPAC5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)no1
InChIInChI=1S/C26H20N4O3/c1-17-14-25(30-33-17)26(31)27-19-8-5-9-20(15-19)32-21-11-12-22-23(28-29-24(22)16-21)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,27,31)(H,28,29)/b13-10+
InChIKeyMUUFNNIAVYEZPN-JLHYYAGUSA-N
MW436.47 g/mol
LogP6.07
Rot. Bonds6

About 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 134153448) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID134153448
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)no1
InChIInChI=1S/C26H20N4O3/c1-17-14-25(30-33-17)26(31)27-19-8-5-9-20(15-19)32-21-11-12-22-23(28-29-24(22)16-21)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,27,31)(H,28,29)/b13-10+
InChIKeyMUUFNNIAVYEZPN-JLHYYAGUSA-N
XLogP6.07
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide (CID 134153448) is 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)no1.
What is the InChIKey of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MUUFNNIAVYEZPN-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-17-14-25(30-33-17)26(31)27-19-8-5-9-20(15-19)32-21-11-12-22-23(28-29-24(22)16-21)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,27,31)(H,28,29)/b13-10+.
What are the key properties of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134153448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).