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

C20H36N2O4 — CID 75536216

IUPAC(2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(CC(C)C)CC(C)C)O2)no1
InChIInChI=1S/C20H36N2O4/c1-14(2)10-22(11-15(3)4)12-20-19(23)7-6-17(25-20)8-16-9-18(13-24-5)26-21-16/h9,14-15,17,19-20,23H,6-8,10-13H2,1-5H3/t17-,19-,20+/m0/s1
InChIKeyLZHPXPJZEZEAIH-YSIASYRMSA-N
MW368.52 g/mol
LogP2.89
Rot. Bonds10

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

(2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (PubChem CID 75536216) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
PubChem CID75536216
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name(2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(CC(C)C)CC(C)C)O2)no1
InChIInChI=1S/C20H36N2O4/c1-14(2)10-22(11-15(3)4)12-20-19(23)7-6-17(25-20)8-16-9-18(13-24-5)26-21-16/h9,14-15,17,19-20,23H,6-8,10-13H2,1-5H3/t17-,19-,20+/m0/s1
InChIKeyLZHPXPJZEZEAIH-YSIASYRMSA-N
XLogP2.89
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (CID 75536216) is (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]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(CC(C)C)CC(C)C)O2)no1.
What is the InChIKey of (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The InChIKey is LZHPXPJZEZEAIH-YSIASYRMSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-14(2)10-22(11-15(3)4)12-20-19(23)7-6-17(25-20)8-16-9-18(13-24-5)26-21-16/h9,14-15,17,19-20,23H,6-8,10-13H2,1-5H3/t17-,19-,20+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
(2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol has a molecular weight of 368.52 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is sourced from PubChem (CID 75536216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).