(2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

C15H26N4O3 — CID 75536439

IUPAC(2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESNC[C@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O
InChIInChI=1S/C15H26N4O3/c16-9-15-14(20)2-1-12(21-15)7-11-8-13(22-18-11)10-19-5-3-17-4-6-19/h8,12,14-15,17,20H,1-7,9-10,16H2/t12-,14-,15+/m0/s1
InChIKeyIOVHJYIGIGEYPJ-AEGPPILISA-N
MW310.40 g/mol
LogP-0.51
Rot. Bonds5

About (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

(2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (PubChem CID 75536439) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
PubChem CID75536439
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESNC[C@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O
InChIInChI=1S/C15H26N4O3/c16-9-15-14(20)2-1-12(21-15)7-11-8-13(22-18-11)10-19-5-3-17-4-6-19/h8,12,14-15,17,20H,1-7,9-10,16H2/t12-,14-,15+/m0/s1
InChIKeyIOVHJYIGIGEYPJ-AEGPPILISA-N
XLogP-0.51
TPSA96.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (CID 75536439) is (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is NC[C@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O.
What is the InChIKey of (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The InChIKey is IOVHJYIGIGEYPJ-AEGPPILISA-N. The full InChI is InChI=1S/C15H26N4O3/c16-9-15-14(20)2-1-12(21-15)7-11-8-13(22-18-11)10-19-5-3-17-4-6-19/h8,12,14-15,17,20H,1-7,9-10,16H2/t12-,14-,15+/m0/s1.
What are the key properties of (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
(2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol has a molecular weight of 310.40 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is sourced from PubChem (CID 75536439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).