2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol

C16H27N3O3 — CID 56775519

IUPAC2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCN1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1
InChIInChI=1S/C16H27N3O3/c1-15(2,20)14-8-13(18-22-14)9-16(10-21-11-16)17-12-4-6-19(3)7-5-12/h8,12,17,20H,4-7,9-11H2,1-3H3
InChIKeyPQSSLTIJOYWHTD-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.90
Rot. Bonds5

About 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol

2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (PubChem CID 56775519) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
PubChem CID56775519
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCN1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1
InChIInChI=1S/C16H27N3O3/c1-15(2,20)14-8-13(18-22-14)9-16(10-21-11-16)17-12-4-6-19(3)7-5-12/h8,12,17,20H,4-7,9-11H2,1-3H3
InChIKeyPQSSLTIJOYWHTD-UHFFFAOYSA-N
XLogP0.90
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (CID 56775519) is 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is CN1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1.
What is the InChIKey of 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The InChIKey is PQSSLTIJOYWHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-15(2,20)14-8-13(18-22-14)9-16(10-21-11-16)17-12-4-6-19(3)7-5-12/h8,12,17,20H,4-7,9-11H2,1-3H3.
What are the key properties of 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-[(1-methylpiperidin-4-yl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 56775519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).