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

C22H33N5O3 — CID 75449607

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(N2CCN(CC(O)CN3CCN(Cc4ccon4)CC3)CC2)cc1
InChIInChI=1S/C22H33N5O3/c1-29-22-4-2-20(3-5-22)27-13-11-26(12-14-27)18-21(28)17-25-9-7-24(8-10-25)16-19-6-15-30-23-19/h2-6,15,21,28H,7-14,16-18H2,1H3
InChIKeyMXXACFSAAGLVEJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP0.98
Rot. Bonds8

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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 75449607) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID75449607
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(N2CCN(CC(O)CN3CCN(Cc4ccon4)CC3)CC2)cc1
InChIInChI=1S/C22H33N5O3/c1-29-22-4-2-20(3-5-22)27-13-11-26(12-14-27)18-21(28)17-25-9-7-24(8-10-25)16-19-6-15-30-23-19/h2-6,15,21,28H,7-14,16-18H2,1H3
InChIKeyMXXACFSAAGLVEJ-UHFFFAOYSA-N
XLogP0.98
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 111488990
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 111489016
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 75375213
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1080818
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
CID 114447501
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol (CID 75449607) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol is COc1ccc(N2CCN(CC(O)CN3CCN(Cc4ccon4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is MXXACFSAAGLVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-29-22-4-2-20(3-5-22)27-13-11-26(12-14-27)18-21(28)17-25-9-7-24(8-10-25)16-19-6-15-30-23-19/h2-6,15,21,28H,7-14,16-18H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 415.54 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 75449607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).