(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

C26H39N3O5 — CID 93208013

IUPAC(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
SMILESCC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1
InChIInChI=1S/C26H39N3O5/c1-20(2)18-32-19-22(30)15-28(16-23-9-6-12-33-23)17-24-25(21-7-4-3-5-8-21)27-34-26(24)29-10-13-31-14-11-29/h3-5,7-8,20,22-23,30H,6,9-19H2,1-2H3/t22-,23+/m1/s1
InChIKeyBPCDMLHUWWRWTG-PKTZIBPZSA-N
MW473.61 g/mol
LogP3.19
Rot. Bonds12

About (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

(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 (PubChem CID 93208013) has the molecular formula C26H39N3O5 and a molecular weight of 473.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID93208013
Molecular FormulaC26H39N3O5
Molecular Weight473.61 g/mol
Exact Mass473.29
IUPAC Name(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
SMILESCC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1
InChIInChI=1S/C26H39N3O5/c1-20(2)18-32-19-22(30)15-28(16-23-9-6-12-33-23)17-24-25(21-7-4-3-5-8-21)27-34-26(24)29-10-13-31-14-11-29/h3-5,7-8,20,22-23,30H,6,9-19H2,1-2H3/t22-,23+/m1/s1
InChIKeyBPCDMLHUWWRWTG-PKTZIBPZSA-N
XLogP3.19
TPSA80.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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
(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
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-[[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
1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46028409
1-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 46028045
1-[2-methoxyethyl-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42842255
1-[(4-fluorophenyl)methyl-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42843766
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
(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-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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1.
What is the InChIKey of (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?
The InChIKey is BPCDMLHUWWRWTG-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H39N3O5/c1-20(2)18-32-19-22(30)15-28(16-23-9-6-12-33-23)17-24-25(21-7-4-3-5-8-21)27-34-26(24)29-10-13-31-14-11-29/h3-5,7-8,20,22-23,30H,6,9-19H2,1-2H3/t22-,23+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 473.61 g/mol, XLogP of 3.19, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 93208013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).