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

C18H24N2O3 — CID 75366974

IUPAC(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESCN(C)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O
InChIInChI=1S/C18H24N2O3/c1-20(2)12-18-16(21)9-8-15(22-18)10-14-11-17(23-19-14)13-6-4-3-5-7-13/h3-7,11,15-16,18,21H,8-10,12H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyFVQXJLIVYNBOAJ-XYJFISCASA-N
MW316.40 g/mol
LogP2.35
Rot. Bonds5

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

(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (PubChem CID 75366974) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
PubChem CID75366974
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESCN(C)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O
InChIInChI=1S/C18H24N2O3/c1-20(2)12-18-16(21)9-8-15(22-18)10-14-11-17(23-19-14)13-6-4-3-5-7-13/h3-7,11,15-16,18,21H,8-10,12H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyFVQXJLIVYNBOAJ-XYJFISCASA-N
XLogP2.35
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.35
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-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (CID 75366974) is (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is CN(C)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O.
What is the InChIKey of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The InChIKey is FVQXJLIVYNBOAJ-XYJFISCASA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20(2)12-18-16(21)9-8-15(22-18)10-14-11-17(23-19-14)13-6-4-3-5-7-13/h3-7,11,15-16,18,21H,8-10,12H2,1-2H3/t15-,16-,18+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol has a molecular weight of 316.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is sourced from PubChem (CID 75366974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).