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

C15H26N2O4 — CID 86769373

IUPAC(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(C)C)O2)no1
InChIInChI=1S/C15H26N2O4/c1-10(2)16-8-15-14(18)5-4-12(20-15)6-11-7-13(9-19-3)21-17-11/h7,10,12,14-16,18H,4-6,8-9H2,1-3H3/t12-,14-,15+/m0/s1
InChIKeyKETWHUOOSOJNHB-AEGPPILISA-N
MW298.38 g/mol
LogP1.27
Rot. Bonds7

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

(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol (PubChem CID 86769373) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
PubChem CID86769373
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(C)C)O2)no1
InChIInChI=1S/C15H26N2O4/c1-10(2)16-8-15-14(18)5-4-12(20-15)6-11-7-13(9-19-3)21-17-11/h7,10,12,14-16,18H,4-6,8-9H2,1-3H3/t12-,14-,15+/m0/s1
InChIKeyKETWHUOOSOJNHB-AEGPPILISA-N
XLogP1.27
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol (CID 86769373) is (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol is COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(C)C)O2)no1.
What is the InChIKey of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The InChIKey is KETWHUOOSOJNHB-AEGPPILISA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)16-8-15-14(18)5-4-12(20-15)6-11-7-13(9-19-3)21-17-11/h7,10,12,14-16,18H,4-6,8-9H2,1-3H3/t12-,14-,15+/m0/s1.
What are the key properties of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol has a molecular weight of 298.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol is sourced from PubChem (CID 86769373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).