N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide

C17H27N3O6 — CID 75366953

IUPACN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1
InChIInChI=1S/C17H27N3O6/c1-23-11-14-9-12(19-26-14)8-13-2-3-15(21)16(25-13)10-18-17(22)20-4-6-24-7-5-20/h9,13,15-16,21H,2-8,10-11H2,1H3,(H,18,22)/t13-,15-,16+/m0/s1
InChIKeyAPHGPDWJRUYHAM-CWRNSKLLSA-N
MW369.42 g/mol
LogP0.31
Rot. Bonds6

About N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 75366953) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID75366953
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC NameN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1
InChIInChI=1S/C17H27N3O6/c1-23-11-14-9-12(19-26-14)8-13-2-3-15(21)16(25-13)10-18-17(22)20-4-6-24-7-5-20/h9,13,15-16,21H,2-8,10-11H2,1H3,(H,18,22)/t13-,15-,16+/m0/s1
InChIKeyAPHGPDWJRUYHAM-CWRNSKLLSA-N
XLogP0.31
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide (CID 75366953) is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide is COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1.
What is the InChIKey of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is APHGPDWJRUYHAM-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-23-11-14-9-12(19-26-14)8-13-2-3-15(21)16(25-13)10-18-17(22)20-4-6-24-7-5-20/h9,13,15-16,21H,2-8,10-11H2,1H3,(H,18,22)/t13-,15-,16+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75366953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).