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

C25H34FN3O5 — CID 129446653

IUPAC(2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOC[C@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1
InChIInChI=1S/C25H34FN3O5/c1-2-11-32-18-19(30)15-28(16-20-6-5-12-33-20)17-22-24(21-7-3-4-8-23(21)26)27-34-25(22)29-9-13-31-14-10-29/h2-4,7-8,19-20,30H,1,5-6,9-18H2/t19-,20-/m1/s1
InChIKeyXJHKJEXWAYXENS-WOJBJXKFSA-N
MW475.56 g/mol
LogP2.86
Rot. Bonds12

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

(2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol (PubChem CID 129446653) has the molecular formula C25H34FN3O5 and a molecular weight of 475.56 g/mol. Its IUPAC name is (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
PubChem CID129446653
Molecular FormulaC25H34FN3O5
Molecular Weight475.56 g/mol
Exact Mass475.25
IUPAC Name(2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOC[C@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1
InChIInChI=1S/C25H34FN3O5/c1-2-11-32-18-19(30)15-28(16-20-6-5-12-33-20)17-22-24(21-7-3-4-8-23(21)26)27-34-25(22)29-9-13-31-14-10-29/h2-4,7-8,19-20,30H,1,5-6,9-18H2/t19-,20-/m1/s1
InChIKeyXJHKJEXWAYXENS-WOJBJXKFSA-N
XLogP2.86
TPSA80.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

4-(3-Phenyl-1,2-oxazol-5-yl)morpholine
CID 12371370
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine
CID 24714493
2-Fluoro-N-(3-methoxypropyl)-N-{[5-(4-methylpiperidin-1-YL)-3-phenyl-1,2-oxazol-4-YL]methyl}benzamide
CID 46016340
4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027771
3-Fluoro-N-[(oxolan-2-YL)methyl]-N-{[3-phenyl-5-(pyrrolidin-1-YL)-1,2-oxazol-4-YL]methyl}benzamide
CID 46027806
(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
N-(2-Methoxyethyl)-N-{[3-phenyl-5-(pyrrolidin-1-YL)-1,2-oxazol-4-YL]methyl}acetamide
CID 24716532
N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine
CID 24714494
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 24719677
N-{[5-(Diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-YL]methyl}-N-(3-methoxypropyl)-2-phenylacetamide
CID 24719696
3-Fluoro-N-(2-methoxyethyl)-N-{[3-phenyl-5-(pyrrolidin-1-YL)-1,2-oxazol-4-YL]methyl}benzamide
CID 42682693
N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 42682742

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol (CID 129446653) is (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol is C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1.
What is the InChIKey of (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
The InChIKey is XJHKJEXWAYXENS-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H34FN3O5/c1-2-11-32-18-19(30)15-28(16-20-6-5-12-33-20)17-22-24(21-7-3-4-8-23(21)26)27-34-25(22)29-9-13-31-14-10-29/h2-4,7-8,19-20,30H,1,5-6,9-18H2/t19-,20-/m1/s1.
What are the key properties of (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
(2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol has a molecular weight of 475.56 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 129446653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).