[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C24H23F2N3O3 — CID 24793443

IUPAC[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H23F2N3O3/c25-21-9-8-19(15-22(21)26)31-17-20-16-23(27-32-20)24(30)29-13-11-28(12-14-29)10-4-7-18-5-2-1-3-6-18/h1-9,15-16H,10-14,17H2/b7-4+
InChIKeyWADJQFCICMUBGD-QPJJXVBHSA-N
MW439.46 g/mol
LogP4.00
Rot. Bonds7

About [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 24793443) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID24793443
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H23F2N3O3/c25-21-9-8-19(15-22(21)26)31-17-20-16-23(27-32-20)24(30)29-13-11-28(12-14-29)10-4-7-18-5-2-1-3-6-18/h1-9,15-16H,10-14,17H2/b7-4+
InChIKeyWADJQFCICMUBGD-QPJJXVBHSA-N
XLogP4.00
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 24790853
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625
(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 146074977
1,2-oxazol-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110693756
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 25459404
(2-methylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55854973
(5-amino-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854674
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 74241708
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 24793443) is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is WADJQFCICMUBGD-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c25-21-9-8-19(15-22(21)26)31-17-20-16-23(27-32-20)24(30)29-13-11-28(12-14-29)10-4-7-18-5-2-1-3-6-18/h1-9,15-16H,10-14,17H2/b7-4+.
What are the key properties of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 439.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24793443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).