2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole

C14H15F3N2O2 — CID 90121688

IUPAC2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole
SMILESC[C@@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)ccc3o2)CN1
InChIInChI=1S/C14H15F3N2O2/c1-8-2-3-9(7-18-8)13-19-11-6-10(21-14(15,16)17)4-5-12(11)20-13/h4-6,8-9,18H,2-3,7H2,1H3/t8-,9-/m1/s1
InChIKeyMPMVRDUAVZXDID-RKDXNWHRSA-N
MW300.28 g/mol
LogP3.58
Rot. Bonds2

About 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole

2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole (PubChem CID 90121688) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole
PubChem CID90121688
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole
SMILESC[C@@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)ccc3o2)CN1
InChIInChI=1S/C14H15F3N2O2/c1-8-2-3-9(7-18-8)13-19-11-6-10(21-14(15,16)17)4-5-12(11)20-13/h4-6,8-9,18H,2-3,7H2,1H3/t8-,9-/m1/s1
InChIKeyMPMVRDUAVZXDID-RKDXNWHRSA-N
XLogP3.58
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole?
The IUPAC name of 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole (CID 90121688) is 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole?
The canonical SMILES for 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole is C[C@@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)ccc3o2)CN1.
What is the InChIKey of 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole?
The InChIKey is MPMVRDUAVZXDID-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-8-2-3-9(7-18-8)13-19-11-6-10(21-14(15,16)17)4-5-12(11)20-13/h4-6,8-9,18H,2-3,7H2,1H3/t8-,9-/m1/s1.
What are the key properties of 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole?
2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole has a molecular weight of 300.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethoxy)-1,3-benzoxazole is sourced from PubChem (CID 90121688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).