(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol

C26H42N4O4 — CID 98630730

IUPAC(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C
InChIInChI=1S/C26H42N4O4/c1-20(2)28(5)26-24(25(27-34-26)22-9-7-6-8-10-22)18-30(17-23(31)19-33-21(3)4)12-11-29-13-15-32-16-14-29/h6-10,20-21,23,31H,11-19H2,1-5H3/t23-/m1/s1
InChIKeyUNXNZLRMVCHEPY-HSZRJFAPSA-N
MW474.65 g/mol
LogP3.11
Rot. Bonds13

About (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 98630730) has the molecular formula C26H42N4O4 and a molecular weight of 474.65 g/mol. Its IUPAC name is (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID98630730
Molecular FormulaC26H42N4O4
Molecular Weight474.65 g/mol
Exact Mass474.32
IUPAC Name(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C
InChIInChI=1S/C26H42N4O4/c1-20(2)28(5)26-24(25(27-34-26)22-9-7-6-8-10-22)18-30(17-23(31)19-33-21(3)4)12-11-29-13-15-32-16-14-29/h6-10,20-21,23,31H,11-19H2,1-5H3/t23-/m1/s1
InChIKeyUNXNZLRMVCHEPY-HSZRJFAPSA-N
XLogP3.11
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 98630730) is (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C.
What is the InChIKey of (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is UNXNZLRMVCHEPY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H42N4O4/c1-20(2)28(5)26-24(25(27-34-26)22-9-7-6-8-10-22)18-30(17-23(31)19-33-21(3)4)12-11-29-13-15-32-16-14-29/h6-10,20-21,23,31H,11-19H2,1-5H3/t23-/m1/s1.
What are the key properties of (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 474.65 g/mol, XLogP of 3.11, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 98630730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).