(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone

C17H22FN3O2 — CID 97465423

IUPAC(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESCCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)CC1
InChIInChI=1S/C17H22FN3O2/c1-3-20-8-10-21(11-9-20)16(22)17(2)12-15(19-23-17)13-6-4-5-7-14(13)18/h4-7H,3,8-12H2,1-2H3/t17-/m0/s1
InChIKeyCEGLDWRRRRGTTN-KRWDZBQOSA-N
MW319.38 g/mol
LogP1.87
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone

(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (PubChem CID 97465423) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
PubChem CID97465423
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESCCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)CC1
InChIInChI=1S/C17H22FN3O2/c1-3-20-8-10-21(11-9-20)16(22)17(2)12-15(19-23-17)13-6-4-5-7-14(13)18/h4-7H,3,8-12H2,1-2H3/t17-/m0/s1
InChIKeyCEGLDWRRRRGTTN-KRWDZBQOSA-N
XLogP1.87
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465298
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465305
(4-ethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 91946021
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 91957305
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100815726
[3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 102551798
[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97465323
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97465759
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (CID 97465423) is (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is CCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The InChIKey is CEGLDWRRRRGTTN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-3-20-8-10-21(11-9-20)16(22)17(2)12-15(19-23-17)13-6-4-5-7-14(13)18/h4-7H,3,8-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone has a molecular weight of 319.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 97465423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).