(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol

C15H22N2O3 — CID 98629894

IUPAC(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol
SMILESCOC[C@H](O)CN(C)C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H22N2O3/c1-17(9-13(18)11-19-2)10-14-8-15(16-20-14)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyLUFUWNQGKVUPIG-ZIAGYGMSSA-N
MW278.35 g/mol
LogP1.12
Rot. Bonds7

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

(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol (PubChem CID 98629894) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol
PubChem CID98629894
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol
SMILESCOC[C@H](O)CN(C)C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H22N2O3/c1-17(9-13(18)11-19-2)10-14-8-15(16-20-14)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyLUFUWNQGKVUPIG-ZIAGYGMSSA-N
XLogP1.12
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]pentan-2-ol
CID 93177694
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]butan-2-ol
CID 93177696
1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol
CID 46014544
(2R)-1-[benzyl-[[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-methoxypropan-2-ol
CID 93177712
1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 42838600
1-[benzyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46014370
(2R)-1-[benzyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93177650
(2R)-1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-methoxypropan-2-ol
CID 98629576
1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
N,3,3-trimethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]butanamide
CID 42790316
(2R)-1-[(2-fluorophenyl)methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 98629489
1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46014182

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol (CID 98629894) is (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol is COC[C@H](O)CN(C)C[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol?
The InChIKey is LUFUWNQGKVUPIG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(9-13(18)11-19-2)10-14-8-15(16-20-14)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol?
(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol has a molecular weight of 278.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 98629894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).