(2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol

C18H26N4O3 — CID 95325248

IUPAC(2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1nnc([C@H](C)N2CCN(C[C@@H](O)COc3ccccc3)CC2)o1
InChIInChI=1S/C18H26N4O3/c1-14(18-20-19-15(2)25-18)22-10-8-21(9-11-22)12-16(23)13-24-17-6-4-3-5-7-17/h3-7,14,16,23H,8-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyUXMNRCGTNZLEDG-GOEBONIOSA-N
MW346.43 g/mol
LogP1.50
Rot. Bonds7

About (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol

(2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 95325248) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID95325248
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1nnc([C@H](C)N2CCN(C[C@@H](O)COc3ccccc3)CC2)o1
InChIInChI=1S/C18H26N4O3/c1-14(18-20-19-15(2)25-18)22-10-8-21(9-11-22)12-16(23)13-24-17-6-4-3-5-7-17/h3-7,14,16,23H,8-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyUXMNRCGTNZLEDG-GOEBONIOSA-N
XLogP1.50
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 86928518
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065755
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
CID 95317688

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol (CID 95325248) is (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol is Cc1nnc([C@H](C)N2CCN(C[C@@H](O)COc3ccccc3)CC2)o1.
What is the InChIKey of (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is UXMNRCGTNZLEDG-GOEBONIOSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(18-20-19-15(2)25-18)22-10-8-21(9-11-22)12-16(23)13-24-17-6-4-3-5-7-17/h3-7,14,16,23H,8-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
(2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 346.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 95325248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).