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

C18H21F2N3O4 — CID 24790342

IUPAC[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1
InChIInChI=1S/C18H21F2N3O4/c1-25-9-8-22-4-6-23(7-5-22)18(24)16-11-14(27-21-16)12-26-17-3-2-13(19)10-15(17)20/h2-3,10-11H,4-9,12H2,1H3
InChIKeyAOMOYTZCNYIBHQ-UHFFFAOYSA-N
MW381.38 g/mol
LogP1.94
Rot. Bonds7

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

[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 24790342) has the molecular formula C18H21F2N3O4 and a molecular weight of 381.38 g/mol. Its IUPAC name is [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID24790342
Molecular FormulaC18H21F2N3O4
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC Name[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1
InChIInChI=1S/C18H21F2N3O4/c1-25-9-8-22-4-6-23(7-5-22)18(24)16-11-14(27-21-16)12-26-17-3-2-13(19)10-15(17)20/h2-3,10-11H,4-9,12H2,1H3
InChIKeyAOMOYTZCNYIBHQ-UHFFFAOYSA-N
XLogP1.94
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 24790342) is [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1.
What is the InChIKey of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is AOMOYTZCNYIBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4/c1-25-9-8-22-4-6-23(7-5-22)18(24)16-11-14(27-21-16)12-26-17-3-2-13(19)10-15(17)20/h2-3,10-11H,4-9,12H2,1H3.
What are the key properties of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 381.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24790342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).