4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide

C26H26FN5O3 — CID 69262947

IUPAC4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cnc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)[nH]1
InChIInChI=1S/C26H26FN5O3/c1-17-23(24(31-35-17)20-3-2-4-21(27)15-20)22-16-29-25(30-22)18-5-7-19(8-6-18)26(33)28-9-10-32-11-13-34-14-12-32/h2-8,15-16H,9-14H2,1H3,(H,28,33)(H,29,30)
InChIKeyJUBBZQGUSCVVFA-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.91
Rot. Bonds7

About 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide

4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 69262947) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID69262947
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cnc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)[nH]1
InChIInChI=1S/C26H26FN5O3/c1-17-23(24(31-35-17)20-3-2-4-21(27)15-20)22-16-29-25(30-22)18-5-7-19(8-6-18)26(33)28-9-10-32-11-13-34-14-12-32/h2-8,15-16H,9-14H2,1H3,(H,28,33)(H,29,30)
InChIKeyJUBBZQGUSCVVFA-UHFFFAOYSA-N
XLogP3.91
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 69262947) is 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1onc(-c2cccc(F)c2)c1-c1cnc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)[nH]1.
What is the InChIKey of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is JUBBZQGUSCVVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-17-23(24(31-35-17)20-3-2-4-21(27)15-20)22-16-29-25(30-22)18-5-7-19(8-6-18)26(33)28-9-10-32-11-13-34-14-12-32/h2-8,15-16H,9-14H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 475.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 69262947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).