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

C27H28FN5O3 — CID 67421362

IUPAC4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C27H28FN5O3/c1-19-25(26(31-36-19)21-4-2-5-22(28)16-21)24-17-33(18-30-24)23-8-6-20(7-9-23)27(34)29-10-3-11-32-12-14-35-15-13-32/h2,4-9,16-18H,3,10-15H2,1H3,(H,29,34)
InChIKeyDLVDJKIXEBPQIX-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.09
Rot. Bonds8

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

4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 67421362) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID67421362
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C27H28FN5O3/c1-19-25(26(31-36-19)21-4-2-5-22(28)16-21)24-17-33(18-30-24)23-8-6-20(7-9-23)27(34)29-10-3-11-32-12-14-35-15-13-32/h2,4-9,16-18H,3,10-15H2,1H3,(H,29,34)
InChIKeyDLVDJKIXEBPQIX-UHFFFAOYSA-N
XLogP4.09
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 67421362) is 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide is Cc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is DLVDJKIXEBPQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-19-25(26(31-36-19)21-4-2-5-22(28)16-21)24-17-33(18-30-24)23-8-6-20(7-9-23)27(34)29-10-3-11-32-12-14-35-15-13-32/h2,4-9,16-18H,3,10-15H2,1H3,(H,29,34).
What are the key properties of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 489.55 g/mol, XLogP of 4.09, 8 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-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 67421362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).