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

C26H26FN5O3 — CID 67420972

IUPAC4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C26H26FN5O3/c1-18-24(25(30-35-18)20-3-2-4-21(27)15-20)23-16-32(17-29-23)22-7-5-19(6-8-22)26(33)28-9-10-31-11-13-34-14-12-31/h2-8,15-17H,9-14H2,1H3,(H,28,33)
InChIKeyORYYTYUADIFDOK-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.70
Rot. Bonds7

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

4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 67420972) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID67420972
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C26H26FN5O3/c1-18-24(25(30-35-18)20-3-2-4-21(27)15-20)23-16-32(17-29-23)22-7-5-19(6-8-22)26(33)28-9-10-31-11-13-34-14-12-31/h2-8,15-17H,9-14H2,1H3,(H,28,33)
InChIKeyORYYTYUADIFDOK-UHFFFAOYSA-N
XLogP3.70
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 67420972) is 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ORYYTYUADIFDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-18-24(25(30-35-18)20-3-2-4-21(27)15-20)23-16-32(17-29-23)22-7-5-19(6-8-22)26(33)28-9-10-31-11-13-34-14-12-31/h2-8,15-17H,9-14H2,1H3,(H,28,33).
What are the key properties of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 475.52 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 67420972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).