1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol

C24H36N4O2 — CID 42843871

IUPAC1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCC)Cc1c(-c2ccccc2)noc1N1CCN(C)CC1
InChIInChI=1S/C24H36N4O2/c1-4-6-12-21(29)18-27(13-5-2)19-22-23(20-10-8-7-9-11-20)25-30-24(22)28-16-14-26(3)15-17-28/h4,7-11,21,29H,1,5-6,12-19H2,2-3H3
InChIKeyFZMFEZKBRRZVIO-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.63
Rot. Bonds11

About 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol

1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol (PubChem CID 42843871) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol
PubChem CID42843871
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCC)Cc1c(-c2ccccc2)noc1N1CCN(C)CC1
InChIInChI=1S/C24H36N4O2/c1-4-6-12-21(29)18-27(13-5-2)19-22-23(20-10-8-7-9-11-20)25-30-24(22)28-16-14-26(3)15-17-28/h4,7-11,21,29H,1,5-6,12-19H2,2-3H3
InChIKeyFZMFEZKBRRZVIO-UHFFFAOYSA-N
XLogP3.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol
CID 46023857
1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 42842286
1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 46023906
(2R)-1-(4-methoxyphenoxy)-3-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 93208040
(2S)-1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93207990
(2R)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
CID 93207991
(2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
CID 93207992
1-[3-methoxypropyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46015055
1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 46028235
(2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93222463
1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42842237
1-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hex-5-en-2-ol
CID 46026155

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol?
The IUPAC name of 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol (CID 42843871) is 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol.
What is the SMILES notation for 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol?
The canonical SMILES for 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol is C=CCCC(O)CN(CCC)Cc1c(-c2ccccc2)noc1N1CCN(C)CC1.
What is the InChIKey of 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol?
The InChIKey is FZMFEZKBRRZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-4-6-12-21(29)18-27(13-5-2)19-22-23(20-10-8-7-9-11-20)25-30-24(22)28-16-14-26(3)15-17-28/h4,7-11,21,29H,1,5-6,12-19H2,2-3H3.
What are the key properties of 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol?
1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol has a molecular weight of 412.58 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol is sourced from PubChem (CID 42843871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).