(3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol

C16H20ClN3O2 — CID 95894243

IUPAC(3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol
SMILESO[C@@]1(CNCc2cc(-c3ccccc3Cl)on2)CCCNC1
InChIInChI=1S/C16H20ClN3O2/c17-14-5-2-1-4-13(14)15-8-12(20-22-15)9-19-11-16(21)6-3-7-18-10-16/h1-2,4-5,8,18-19,21H,3,6-7,9-11H2/t16-/m0/s1
InChIKeyWNBXVGYABDIFLY-INIZCTEOSA-N
MW321.81 g/mol
LogP2.20
Rot. Bonds5

About (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol

(3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol (PubChem CID 95894243) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol
PubChem CID95894243
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name(3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol
SMILESO[C@@]1(CNCc2cc(-c3ccccc3Cl)on2)CCCNC1
InChIInChI=1S/C16H20ClN3O2/c17-14-5-2-1-4-13(14)15-8-12(20-22-15)9-19-11-16(21)6-3-7-18-10-16/h1-2,4-5,8,18-19,21H,3,6-7,9-11H2/t16-/m0/s1
InChIKeyWNBXVGYABDIFLY-INIZCTEOSA-N
XLogP2.20
TPSA70.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol (CID 95894243) is (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol is O[C@@]1(CNCc2cc(-c3ccccc3Cl)on2)CCCNC1.
What is the InChIKey of (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol?
The InChIKey is WNBXVGYABDIFLY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-14-5-2-1-4-13(14)15-8-12(20-22-15)9-19-11-16(21)6-3-7-18-10-16/h1-2,4-5,8,18-19,21H,3,6-7,9-11H2/t16-/m0/s1.
What are the key properties of (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol?
(3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol has a molecular weight of 321.81 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 95894243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).