(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol

C28H34FN3O4 — CID 129426102

IUPAC(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1
InChIInChI=1S/C28H34FN3O4/c29-23-10-8-22(9-11-23)27-26(28(36-30-27)32-12-15-34-16-13-32)20-31(19-25-7-4-14-35-25)18-24(33)17-21-5-2-1-3-6-21/h1-3,5-6,8-11,24-25,33H,4,7,12-20H2/t24-,25+/m0/s1
InChIKeySCIPOAUJWXGNCN-LOSJGSFVSA-N
MW495.60 g/mol
LogP3.90
Rot. Bonds10

About (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol

(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol (PubChem CID 129426102) has the molecular formula C28H34FN3O4 and a molecular weight of 495.60 g/mol. Its IUPAC name is (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol
PubChem CID129426102
Molecular FormulaC28H34FN3O4
Molecular Weight495.60 g/mol
Exact Mass495.25
IUPAC Name(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1
InChIInChI=1S/C28H34FN3O4/c29-23-10-8-22(9-11-23)27-26(28(36-30-27)32-12-15-34-16-13-32)20-31(19-25-7-4-14-35-25)18-24(33)17-21-5-2-1-3-6-21/h1-3,5-6,8-11,24-25,33H,4,7,12-20H2/t24-,25+/m0/s1
InChIKeySCIPOAUJWXGNCN-LOSJGSFVSA-N
XLogP3.90
TPSA71.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol with MolForge

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CID 46016340
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol (CID 129426102) is (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol is O[C@@H](Cc1ccccc1)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1.
What is the InChIKey of (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is SCIPOAUJWXGNCN-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H34FN3O4/c29-23-10-8-22(9-11-23)27-26(28(36-30-27)32-12-15-34-16-13-32)20-31(19-25-7-4-14-35-25)18-24(33)17-21-5-2-1-3-6-21/h1-3,5-6,8-11,24-25,33H,4,7,12-20H2/t24-,25+/m0/s1.
What are the key properties of (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol?
(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 495.60 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 129426102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).