2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide

C23H25FN4O2 — CID 166154785

IUPAC2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCN1CCN(CCNC(=O)c2nc(-c3cccc(F)c3)oc2-c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-27-12-14-28(15-13-27)11-10-25-22(29)20-21(17-6-3-2-4-7-17)30-23(26-20)18-8-5-9-19(24)16-18/h2-9,16H,10-15H2,1H3,(H,25,29)
InChIKeyOTCHLLCWXKHRSZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.12
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide

2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 166154785) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID166154785
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCN1CCN(CCNC(=O)c2nc(-c3cccc(F)c3)oc2-c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-27-12-14-28(15-13-27)11-10-25-22(29)20-21(17-6-3-2-4-7-17)30-23(26-20)18-8-5-9-19(24)16-18/h2-9,16H,10-15H2,1H3,(H,25,29)
InChIKeyOTCHLLCWXKHRSZ-UHFFFAOYSA-N
XLogP3.12
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-(2-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 166154744
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
2-(3-fluorophenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 91682473
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 167909684
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 53382909
5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46096716
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432808
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 166154785) is 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide is CN1CCN(CCNC(=O)c2nc(-c3cccc(F)c3)oc2-c2ccccc2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is OTCHLLCWXKHRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27-12-14-28(15-13-27)11-10-25-22(29)20-21(17-6-3-2-4-7-17)30-23(26-20)18-8-5-9-19(24)16-18/h2-9,16H,10-15H2,1H3,(H,25,29).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166154785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).