(2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

C20H28N2O3 — CID 75366971

IUPAC(2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESCCN(CC)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O
InChIInChI=1S/C20H28N2O3/c1-3-22(4-2)14-20-18(23)11-10-17(24-20)12-16-13-19(25-21-16)15-8-6-5-7-9-15/h5-9,13,17-18,20,23H,3-4,10-12,14H2,1-2H3/t17-,18-,20+/m0/s1
InChIKeyCYKYOUNLBOFGJR-CMKODMSKSA-N
MW344.45 g/mol
LogP3.13
Rot. Bonds7

About (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

(2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (PubChem CID 75366971) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
PubChem CID75366971
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESCCN(CC)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O
InChIInChI=1S/C20H28N2O3/c1-3-22(4-2)14-20-18(23)11-10-17(24-20)12-16-13-19(25-21-16)15-8-6-5-7-9-15/h5-9,13,17-18,20,23H,3-4,10-12,14H2,1-2H3/t17-,18-,20+/m0/s1
InChIKeyCYKYOUNLBOFGJR-CMKODMSKSA-N
XLogP3.13
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (CID 75366971) is (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is CCN(CC)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O.
What is the InChIKey of (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The InChIKey is CYKYOUNLBOFGJR-CMKODMSKSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-22(4-2)14-20-18(23)11-10-17(24-20)12-16-13-19(25-21-16)15-8-6-5-7-9-15/h5-9,13,17-18,20,23H,3-4,10-12,14H2,1-2H3/t17-,18-,20+/m0/s1.
What are the key properties of (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
(2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol has a molecular weight of 344.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is sourced from PubChem (CID 75366971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).