[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol

C21H23N3O3 — CID 18738412

IUPAC[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1
InChIInChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2
InChIKeyNHBSUQDVNVOGGK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.28
Rot. Bonds6

About [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol

[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol (PubChem CID 18738412) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol
PubChem CID18738412
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1
InChIInChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2
InChIKeyNHBSUQDVNVOGGK-UHFFFAOYSA-N
XLogP3.28
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol (CID 18738412) is [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol is OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1.
What is the InChIKey of [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is NHBSUQDVNVOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2.
What are the key properties of [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 365.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 18738412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).