(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol

C18H26N4O4 — CID 95859468

IUPAC(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
SMILESCc1nc(-c2ccc(OC[C@H](O)CN3CCN(CCO)CC3)cc2)no1
InChIInChI=1S/C18H26N4O4/c1-14-19-18(20-26-14)15-2-4-17(5-3-15)25-13-16(24)12-22-8-6-21(7-9-22)10-11-23/h2-5,16,23-24H,6-13H2,1H3/t16-/m1/s1
InChIKeyLVJIGGPABQKMDP-MRXNPFEDSA-N
MW362.43 g/mol
LogP0.39
Rot. Bonds8

About (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol

(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol (PubChem CID 95859468) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
PubChem CID95859468
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
SMILESCc1nc(-c2ccc(OC[C@H](O)CN3CCN(CCO)CC3)cc2)no1
InChIInChI=1S/C18H26N4O4/c1-14-19-18(20-26-14)15-2-4-17(5-3-15)25-13-16(24)12-22-8-6-21(7-9-22)10-11-23/h2-5,16,23-24H,6-13H2,1H3/t16-/m1/s1
InChIKeyLVJIGGPABQKMDP-MRXNPFEDSA-N
XLogP0.39
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-(4-aminophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 43575187
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 84590494
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 782845
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one
CID 18540089
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2134501
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol (CID 95859468) is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol is Cc1nc(-c2ccc(OC[C@H](O)CN3CCN(CCO)CC3)cc2)no1.
What is the InChIKey of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
The InChIKey is LVJIGGPABQKMDP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-14-19-18(20-26-14)15-2-4-17(5-3-15)25-13-16(24)12-22-8-6-21(7-9-22)10-11-23/h2-5,16,23-24H,6-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol has a molecular weight of 362.43 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 95859468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).