1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone

C15H14F3N3O4 — CID 75411567

IUPAC1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)10-1-2-13(19-7-10)24-11-8-21(5-6-23-9-11)14(22)12-3-4-20-25-12/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1
InChIKeyBVTIDBWOXZHAIW-LLVKDONJSA-N
MW357.29 g/mol
LogP2.01
Rot. Bonds3

About 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone

1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone (PubChem CID 75411567) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
PubChem CID75411567
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Name1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)10-1-2-13(19-7-10)24-11-8-21(5-6-23-9-11)14(22)12-3-4-20-25-12/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1
InChIKeyBVTIDBWOXZHAIW-LLVKDONJSA-N
XLogP2.01
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone (CID 75411567) is 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone is O=C(c1ccno1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The InChIKey is BVTIDBWOXZHAIW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c16-15(17,18)10-1-2-13(19-7-10)24-11-8-21(5-6-23-9-11)14(22)12-3-4-20-25-12/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1.
What are the key properties of 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone has a molecular weight of 357.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 75411567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).