(2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol

C18H24FN3O3 — CID 32601785

IUPAC(2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(CN2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)on1
InChIInChI=1S/C18H24FN3O3/c1-14-10-18(25-20-14)12-22-8-6-21(7-9-22)11-16(23)13-24-17-4-2-15(19)3-5-17/h2-5,10,16,23H,6-9,11-13H2,1H3/t16-/m1/s1
InChIKeySKBNMJYXHWVBBI-MRXNPFEDSA-N
MW349.41 g/mol
LogP1.68
Rot. Bonds7

About (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 32601785) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID32601785
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(CN2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)on1
InChIInChI=1S/C18H24FN3O3/c1-14-10-18(25-20-14)12-22-8-6-21(7-9-22)11-16(23)13-24-17-4-2-15(19)3-5-17/h2-5,10,16,23H,6-9,11-13H2,1H3/t16-/m1/s1
InChIKeySKBNMJYXHWVBBI-MRXNPFEDSA-N
XLogP1.68
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol (CID 32601785) is (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol is Cc1cc(CN2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)on1.
What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is SKBNMJYXHWVBBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-14-10-18(25-20-14)12-22-8-6-21(7-9-22)11-16(23)13-24-17-4-2-15(19)3-5-17/h2-5,10,16,23H,6-9,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 349.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenoxy)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 32601785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).