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

C15H16N2O4 — CID 75367681

IUPAC1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C15H16N2O4/c18-15(14-6-7-16-21-14)17-8-9-19-11-13(10-17)20-12-4-2-1-3-5-12/h1-7,13H,8-11H2/t13-/m1/s1
InChIKeyFERCQLSKAAJERZ-CYBMUJFWSA-N
MW288.30 g/mol
LogP1.59
Rot. Bonds3

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

1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone (PubChem CID 75367681) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
PubChem CID75367681
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C15H16N2O4/c18-15(14-6-7-16-21-14)17-8-9-19-11-13(10-17)20-12-4-2-1-3-5-12/h1-7,13H,8-11H2/t13-/m1/s1
InChIKeyFERCQLSKAAJERZ-CYBMUJFWSA-N
XLogP1.59
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.59
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-phenoxy-1,4-oxazepan-4-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone (CID 75367681) is 1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone is O=C(c1ccno1)N1CCOC[C@H](Oc2ccccc2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone?
The InChIKey is FERCQLSKAAJERZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-15(14-6-7-16-21-14)17-8-9-19-11-13(10-17)20-12-4-2-1-3-5-12/h1-7,13H,8-11H2/t13-/m1/s1.
What are the key properties of 1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone?
1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone has a molecular weight of 288.30 g/mol, XLogP of 1.59, 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-phenoxy-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 75367681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).