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

C19H26N2O4 — CID 75367015

IUPAC(2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
SMILESCC(C)NC[C@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O
InChIInChI=1S/C19H26N2O4/c1-12(2)20-11-19-17(23)7-6-16(24-19)9-14-10-18(25-21-14)13-4-3-5-15(22)8-13/h3-5,8,10,12,16-17,19-20,22-23H,6-7,9,11H2,1-2H3/t16-,17-,19+/m0/s1
InChIKeyUNPJORNWBZBAON-JENIJYKNSA-N
MW346.43 g/mol
LogP2.50
Rot. Bonds6

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

(2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol (PubChem CID 75367015) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
PubChem CID75367015
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
SMILESCC(C)NC[C@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O
InChIInChI=1S/C19H26N2O4/c1-12(2)20-11-19-17(23)7-6-16(24-19)9-14-10-18(25-21-14)13-4-3-5-15(22)8-13/h3-5,8,10,12,16-17,19-20,22-23H,6-7,9,11H2,1-2H3/t16-,17-,19+/m0/s1
InChIKeyUNPJORNWBZBAON-JENIJYKNSA-N
XLogP2.50
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol (CID 75367015) is (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol is CC(C)NC[C@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O.
What is the InChIKey of (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The InChIKey is UNPJORNWBZBAON-JENIJYKNSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)20-11-19-17(23)7-6-16(24-19)9-14-10-18(25-21-14)13-4-3-5-15(22)8-13/h3-5,8,10,12,16-17,19-20,22-23H,6-7,9,11H2,1-2H3/t16-,17-,19+/m0/s1.
What are the key properties of (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
(2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol has a molecular weight of 346.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol is sourced from PubChem (CID 75367015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).