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

C18H25N3O3 — CID 94767954

IUPAC(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O3/c1-15-11-16(19-24-15)12-20-7-9-21(10-8-20)13-17(22)14-23-18-5-3-2-4-6-18/h2-6,11,17,22H,7-10,12-14H2,1H3/t17-/m0/s1
InChIKeySSDVBWABPKWYFW-KRWDZBQOSA-N
MW331.42 g/mol
LogP1.54
Rot. Bonds7

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

(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 94767954) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID94767954
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O3/c1-15-11-16(19-24-15)12-20-7-9-21(10-8-20)13-17(22)14-23-18-5-3-2-4-6-18/h2-6,11,17,22H,7-10,12-14H2,1H3/t17-/m0/s1
InChIKeySSDVBWABPKWYFW-KRWDZBQOSA-N
XLogP1.54
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827755
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95271858
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 97316322
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
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 86895566
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol dichloride
CID 21237844
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (CID 94767954) is (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is Cc1cc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)no1.
What is the InChIKey of (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is SSDVBWABPKWYFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-15-11-16(19-24-15)12-20-7-9-21(10-8-20)13-17(22)14-23-18-5-3-2-4-6-18/h2-6,11,17,22H,7-10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 331.42 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 94767954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).