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

C14H24N2O4 — CID 75366960

IUPAC(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(C)C)O2)no1
InChIInChI=1S/C14H24N2O4/c1-16(2)8-14-13(17)5-4-11(19-14)6-10-7-12(9-18-3)20-15-10/h7,11,13-14,17H,4-6,8-9H2,1-3H3/t11-,13-,14+/m0/s1
InChIKeyQZKIEAKBXBFQMW-FPMFFAJLSA-N
MW284.36 g/mol
LogP0.83
Rot. Bonds6

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

(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (PubChem CID 75366960) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
PubChem CID75366960
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(C)C)O2)no1
InChIInChI=1S/C14H24N2O4/c1-16(2)8-14-13(17)5-4-11(19-14)6-10-7-12(9-18-3)20-15-10/h7,11,13-14,17H,4-6,8-9H2,1-3H3/t11-,13-,14+/m0/s1
InChIKeyQZKIEAKBXBFQMW-FPMFFAJLSA-N
XLogP0.83
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol with MolForge

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Related Compounds

(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 86769373
6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol
CID 163057718
6-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-[(dimethylamino)methyl]oxan-3-ol
CID 163048202
N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide
CID 75366920
(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-[[(4-methoxyphenyl)methylamino]methyl]oxan-3-ol
CID 100584360
2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 162789842
1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(2-methoxyphenyl)-1-[(2-methoxyphenyl)carbamoyl]urea
CID 162796727
2-[(benzylamino)methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 162789947
2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
CID 162846458
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]cyclobutanecarboxamide
CID 75536328
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
CID 75536433

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (CID 75366960) is (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(C)C)O2)no1.
What is the InChIKey of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The InChIKey is QZKIEAKBXBFQMW-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-16(2)8-14-13(17)5-4-11(19-14)6-10-7-12(9-18-3)20-15-10/h7,11,13-14,17H,4-6,8-9H2,1-3H3/t11-,13-,14+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol has a molecular weight of 284.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is sourced from PubChem (CID 75366960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).