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

C21H23FN4O3 — CID 94219223

IUPACN-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN1CCN([C@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O3/c1-25-8-10-26(11-9-25)18(15-4-6-16(22)7-5-15)14-23-21(27)17-13-20(29-24-17)19-3-2-12-28-19/h2-7,12-13,18H,8-11,14H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyQQLWSTOGXGTOCX-GOSISDBHSA-N
MW398.44 g/mol
LogP2.79
Rot. Bonds6

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

N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 94219223) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID94219223
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN1CCN([C@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O3/c1-25-8-10-26(11-9-25)18(15-4-6-16(22)7-5-15)14-23-21(27)17-13-20(29-24-17)19-3-2-12-28-19/h2-7,12-13,18H,8-11,14H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyQQLWSTOGXGTOCX-GOSISDBHSA-N
XLogP2.79
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51895795
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
5-(furan-2-yl)-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302814
5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42951527
3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
3-bromo-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990763
N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103770495
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-methyloxamide
CID 18578296
N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35577892
N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 94022971
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 94219223) is N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CN1CCN([C@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is QQLWSTOGXGTOCX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-25-8-10-26(11-9-25)18(15-4-6-16(22)7-5-15)14-23-21(27)17-13-20(29-24-17)19-3-2-12-28-19/h2-7,12-13,18H,8-11,14H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94219223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).