5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide

C27H20N4O3 — CID 134135670

IUPAC5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)no1
InChIInChI=1S/C27H20N4O3/c1-17-14-25(31-34-17)27(33)28-21-9-5-8-19(15-21)26(32)20-11-12-22-23(29-30-24(22)16-20)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,28,33)(H,29,30)/b13-10+
InChIKeyJMENEMGCVODPJW-JLHYYAGUSA-N
MW448.48 g/mol
LogP5.51
Rot. Bonds6

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

5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 134135670) has the molecular formula C27H20N4O3 and a molecular weight of 448.48 g/mol. Its IUPAC name is 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID134135670
Molecular FormulaC27H20N4O3
Molecular Weight448.48 g/mol
Exact Mass448.15
IUPAC Name5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)no1
InChIInChI=1S/C27H20N4O3/c1-17-14-25(31-34-17)27(33)28-21-9-5-8-19(15-21)26(32)20-11-12-22-23(29-30-24(22)16-20)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,28,33)(H,29,30)/b13-10+
InChIKeyJMENEMGCVODPJW-JLHYYAGUSA-N
XLogP5.51
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide (CID 134135670) is 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)no1.
What is the InChIKey of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JMENEMGCVODPJW-JLHYYAGUSA-N. The full InChI is InChI=1S/C27H20N4O3/c1-17-14-25(31-34-17)27(33)28-21-9-5-8-19(15-21)26(32)20-11-12-22-23(29-30-24(22)16-20)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,28,33)(H,29,30)/b13-10+.
What are the key properties of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 5.51, 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-indazole-6-carbonyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134135670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).