6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol

C18H31N3O4 — CID 162999279

IUPAC6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
SMILESCC(C)NCC1OC(Cc2cc(CN3CCOCC3)on2)CCC1O
InChIInChI=1S/C18H31N3O4/c1-13(2)19-11-18-17(22)4-3-15(24-18)9-14-10-16(25-20-14)12-21-5-7-23-8-6-21/h10,13,15,17-19,22H,3-9,11-12H2,1-2H3
InChIKeyVIQGCOOZUYJDBX-UHFFFAOYSA-N
MW353.46 g/mol
LogP0.96
Rot. Bonds7

About 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol

6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol (PubChem CID 162999279) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol.

Molecular Properties

Compound Name6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
PubChem CID162999279
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
SMILESCC(C)NCC1OC(Cc2cc(CN3CCOCC3)on2)CCC1O
InChIInChI=1S/C18H31N3O4/c1-13(2)19-11-18-17(22)4-3-15(24-18)9-14-10-16(25-20-14)12-21-5-7-23-8-6-21/h10,13,15,17-19,22H,3-9,11-12H2,1-2H3
InChIKeyVIQGCOOZUYJDBX-UHFFFAOYSA-N
XLogP0.96
TPSA79.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The IUPAC name of 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol (CID 162999279) is 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol.
What is the SMILES notation for 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The canonical SMILES for 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol is CC(C)NCC1OC(Cc2cc(CN3CCOCC3)on2)CCC1O.
What is the InChIKey of 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
The InChIKey is VIQGCOOZUYJDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-13(2)19-11-18-17(22)4-3-15(24-18)9-14-10-16(25-20-14)12-21-5-7-23-8-6-21/h10,13,15,17-19,22H,3-9,11-12H2,1-2H3.
What are the key properties of 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol?
6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol has a molecular weight of 353.46 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol is sourced from PubChem (CID 162999279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).