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

C18H25N3O3 — CID 10640259

IUPAC[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CO)no2)CC1
InChIInChI=1S/C18H25N3O3/c1-14(2)23-18-6-4-3-5-17(18)21-9-7-20(8-10-21)12-16-11-15(13-22)19-24-16/h3-6,11,14,22H,7-10,12-13H2,1-2H3
InChIKeyVQWUSRRSHHAZMT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.28
Rot. Bonds6

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

[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol (PubChem CID 10640259) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol
PubChem CID10640259
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CO)no2)CC1
InChIInChI=1S/C18H25N3O3/c1-14(2)23-18-6-4-3-5-17(18)21-9-7-20(8-10-21)12-16-11-15(13-22)19-24-16/h3-6,11,14,22H,7-10,12-13H2,1-2H3
InChIKeyVQWUSRRSHHAZMT-UHFFFAOYSA-N
XLogP2.28
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol (CID 10640259) is [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol is CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)no2)CC1.
What is the InChIKey of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is VQWUSRRSHHAZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(2)23-18-6-4-3-5-17(18)21-9-7-20(8-10-21)12-16-11-15(13-22)19-24-16/h3-6,11,14,22H,7-10,12-13H2,1-2H3.
What are the key properties of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol?
[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 331.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 10640259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).