1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol

C27H41N5O4 — CID 46028235

IUPAC1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN1CCN(c2onc(-c3ccccc3)c2CN(CC(O)CN2CCOCC2)CC2CCCO2)CC1
InChIInChI=1S/C27H41N5O4/c1-29-9-11-32(12-10-29)27-25(26(28-36-27)22-6-3-2-4-7-22)21-31(20-24-8-5-15-35-24)19-23(33)18-30-13-16-34-17-14-30/h2-4,6-7,23-24,33H,5,8-21H2,1H3
InChIKeyIBBPURRXQRITTB-UHFFFAOYSA-N
MW499.66 g/mol
LogP1.77
Rot. Bonds10

About 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol

1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 46028235) has the molecular formula C27H41N5O4 and a molecular weight of 499.66 g/mol. Its IUPAC name is 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID46028235
Molecular FormulaC27H41N5O4
Molecular Weight499.66 g/mol
Exact Mass499.32
IUPAC Name1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN1CCN(c2onc(-c3ccccc3)c2CN(CC(O)CN2CCOCC2)CC2CCCO2)CC1
InChIInChI=1S/C27H41N5O4/c1-29-9-11-32(12-10-29)27-25(26(28-36-27)22-6-3-2-4-7-22)21-31(20-24-8-5-15-35-24)19-23(33)18-30-13-16-34-17-14-30/h2-4,6-7,23-24,33H,5,8-21H2,1H3
InChIKeyIBBPURRXQRITTB-UHFFFAOYSA-N
XLogP1.77
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 93207954
(2R)-1-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 129423468
(2R)-1-(2-methylpropoxy)-3-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 93208013
1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 42842250
(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93207944
1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46028409
(2R)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93207947
(2R)-1-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 93220096
(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-[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-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol
CID 42842247

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 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) is 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol is CN1CCN(c2onc(-c3ccccc3)c2CN(CC(O)CN2CCOCC2)CC2CCCO2)CC1.
What is the InChIKey of 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is IBBPURRXQRITTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O4/c1-29-9-11-32(12-10-29)27-25(26(28-36-27)22-6-3-2-4-7-22)21-31(20-24-8-5-15-35-24)19-23(33)18-30-13-16-34-17-14-30/h2-4,6-7,23-24,33H,5,8-21H2,1H3.
What are the key properties of 1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 499.66 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 9 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-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 46028235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).