1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol

C18H25N3O3 — CID 111489016

IUPAC1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H25N3O3/c1-15-4-2-3-5-18(15)23-14-17(22)13-21-9-7-20(8-10-21)12-16-6-11-24-19-16/h2-6,11,17,22H,7-10,12-14H2,1H3
InChIKeyUARBAOBJJLGAPZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.54
Rot. Bonds7

About 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol

1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 111489016) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID111489016
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H25N3O3/c1-15-4-2-3-5-18(15)23-14-17(22)13-21-9-7-20(8-10-21)12-16-6-11-24-19-16/h2-6,11,17,22H,7-10,12-14H2,1H3
InChIKeyUARBAOBJJLGAPZ-UHFFFAOYSA-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 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 3747865
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 2147889
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-morpholin-4-yl-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 111488990
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 55410091
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-5-one
CID 110908640
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 75449607

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol (CID 111489016) is 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol is Cc1ccccc1OCC(O)CN1CCN(Cc2ccon2)CC1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is UARBAOBJJLGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-15-4-2-3-5-18(15)23-14-17(22)13-21-9-7-20(8-10-21)12-16-6-11-24-19-16/h2-6,11,17,22H,7-10,12-14H2,1H3.
What are the key properties of 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-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 1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 111489016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).