6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol

C17H29N3O4 — CID 163057718

IUPAC6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol
SMILESCOCc1cc(CC2CCC(O)C(CNC3CCNCC3)O2)no1
InChIInChI=1S/C17H29N3O4/c1-22-11-15-9-13(20-24-15)8-14-2-3-16(21)17(23-14)10-19-12-4-6-18-7-5-12/h9,12,14,16-19,21H,2-8,10-11H2,1H3
InChIKeyVKUVUSCPSUVPLE-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.61
Rot. Bonds7

About 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol

6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol (PubChem CID 163057718) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol.

Molecular Properties

Compound Name6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol
PubChem CID163057718
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol
SMILESCOCc1cc(CC2CCC(O)C(CNC3CCNCC3)O2)no1
InChIInChI=1S/C17H29N3O4/c1-22-11-15-9-13(20-24-15)8-14-2-3-16(21)17(23-14)10-19-12-4-6-18-7-5-12/h9,12,14,16-19,21H,2-8,10-11H2,1H3
InChIKeyVKUVUSCPSUVPLE-UHFFFAOYSA-N
XLogP0.61
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol?
The IUPAC name of 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol (CID 163057718) is 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol.
What is the SMILES notation for 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol?
The canonical SMILES for 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol is COCc1cc(CC2CCC(O)C(CNC3CCNCC3)O2)no1.
What is the InChIKey of 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol?
The InChIKey is VKUVUSCPSUVPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-22-11-15-9-13(20-24-15)8-14-2-3-16(21)17(23-14)10-19-12-4-6-18-7-5-12/h9,12,14,16-19,21H,2-8,10-11H2,1H3.
What are the key properties of 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol?
6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol has a molecular weight of 339.44 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol is sourced from PubChem (CID 163057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).