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

C16H15F3N2O4 — CID 75411587

IUPAC1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)11-1-3-12(4-2-11)24-13-9-21(7-8-23-10-13)15(22)14-5-6-20-25-14/h1-6,13H,7-10H2/t13-/m1/s1
InChIKeyHITCCBLEGLHGCG-CYBMUJFWSA-N
MW356.30 g/mol
LogP2.61
Rot. Bonds3

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

1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone (PubChem CID 75411587) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
PubChem CID75411587
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Name1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)11-1-3-12(4-2-11)24-13-9-21(7-8-23-10-13)15(22)14-5-6-20-25-14/h1-6,13H,7-10H2/t13-/m1/s1
InChIKeyHITCCBLEGLHGCG-CYBMUJFWSA-N
XLogP2.61
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone (CID 75411587) is 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone is O=C(c1ccno1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone?
The InChIKey is HITCCBLEGLHGCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c17-16(18,19)11-1-3-12(4-2-11)24-13-9-21(7-8-23-10-13)15(22)14-5-6-20-25-14/h1-6,13H,7-10H2/t13-/m1/s1.
What are the key properties of 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone?
1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone has a molecular weight of 356.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 75411587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).