(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol

C11H9ClF3N3O2 — CID 154782558

IUPAC(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CNc1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F
InChIInChI=1S/C11H9ClF3N3O2/c12-7-3-1-2-6(4-7)9-17-18-10(20-9)16-5-8(19)11(13,14)15/h1-4,8,19H,5H2,(H,16,18)/t8-/m1/s1
InChIKeyGCONUMZASFYBJA-MRVPVSSYSA-N
MW307.66 g/mol
LogP2.73
Rot. Bonds4

About (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol

(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 154782558) has the molecular formula C11H9ClF3N3O2 and a molecular weight of 307.66 g/mol. Its IUPAC name is (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID154782558
Molecular FormulaC11H9ClF3N3O2
Molecular Weight307.66 g/mol
Exact Mass307.03
IUPAC Name(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CNc1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F
InChIInChI=1S/C11H9ClF3N3O2/c12-7-3-1-2-6(4-7)9-17-18-10(20-9)16-5-8(19)11(13,14)15/h1-4,8,19H,5H2,(H,16,18)/t8-/m1/s1
InChIKeyGCONUMZASFYBJA-MRVPVSSYSA-N
XLogP2.73
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol (CID 154782558) is (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol is O[C@H](CNc1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F.
What is the InChIKey of (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GCONUMZASFYBJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2/c12-7-3-1-2-6(4-7)9-17-18-10(20-9)16-5-8(19)11(13,14)15/h1-4,8,19H,5H2,(H,16,18)/t8-/m1/s1.
What are the key properties of (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol?
(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 307.66 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 154782558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).