(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

C18H23FN2O3 — CID 75366950

IUPAC(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCN(C)C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O
InChIInChI=1S/C18H23FN2O3/c1-21(2)11-18-16(22)8-7-15(23-18)9-14-10-17(24-20-14)12-3-5-13(19)6-4-12/h3-6,10,15-16,18,22H,7-9,11H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyYSOUPDHCLCMXHM-XYJFISCASA-N
MW334.39 g/mol
LogP2.49
Rot. Bonds5

About (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (PubChem CID 75366950) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
PubChem CID75366950
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCN(C)C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O
InChIInChI=1S/C18H23FN2O3/c1-21(2)11-18-16(22)8-7-15(23-18)9-14-10-17(24-20-14)12-3-5-13(19)6-4-12/h3-6,10,15-16,18,22H,7-9,11H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyYSOUPDHCLCMXHM-XYJFISCASA-N
XLogP2.49
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.49
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-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (CID 75366950) is (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is CN(C)C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O.
What is the InChIKey of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The InChIKey is YSOUPDHCLCMXHM-XYJFISCASA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-21(2)11-18-16(22)8-7-15(23-18)9-14-10-17(24-20-14)12-3-5-13(19)6-4-12/h3-6,10,15-16,18,22H,7-9,11H2,1-2H3/t15-,16-,18+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol has a molecular weight of 334.39 g/mol, XLogP of 2.49, 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-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is sourced from PubChem (CID 75366950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).