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

C16H18N2O5 — CID 75411635

IUPAC[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1
InChIInChI=1S/C16H18N2O5/c1-20-12-2-4-13(5-3-12)22-14-10-18(8-9-21-11-14)16(19)15-6-7-17-23-15/h2-7,14H,8-11H2,1H3/t14-/m1/s1
InChIKeyZOPKQZBNLOFNNW-CQSZACIVSA-N
MW318.33 g/mol
LogP1.60
Rot. Bonds4

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

[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 75411635) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID75411635
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1
InChIInChI=1S/C16H18N2O5/c1-20-12-2-4-13(5-3-12)22-14-10-18(8-9-21-11-14)16(19)15-6-7-17-23-15/h2-7,14H,8-11H2,1H3/t14-/m1/s1
InChIKeyZOPKQZBNLOFNNW-CQSZACIVSA-N
XLogP1.60
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-oxazol-5-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75367681
[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
CID 75367693
1,2-oxazol-5-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75411587
Methyl 4-(2-fluorophenoxy)-1-(isoxazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 76149001
[4-[[2-(3-Fluoro-4-methylphenoxy)acetyl]amino]-1-(1,2-oxazole-5-carbonylamino)butan-2-yl] hypoiodite
CID 156055786
1-[4-[(5-Methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenoxy]propan-1-one
CID 3486363
N-(4-(2-fluorophenoxy)but-2-yn-1-yl)isoxazole-5-carboxamide
CID 90574319
N-(4-(2,4-difluorophenoxy)but-2-yn-1-yl)isoxazole-5-carboxamide
CID 90577565
(4-(2-Fluorophenoxy)-[1,4'-bipiperidin]-1'-yl)(isoxazol-5-yl)methanone
CID 90616710
methyl (2S,4S)-4-(2-fluorophenoxy)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 99874924
methyl (2R,4S)-4-(2-fluorophenoxy)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 99874925
methyl (2S,4R)-4-(2-fluorophenoxy)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 99874926

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone (CID 75411635) is [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone is COc1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1.
What is the InChIKey of [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is ZOPKQZBNLOFNNW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-20-12-2-4-13(5-3-12)22-14-10-18(8-9-21-11-14)16(19)15-6-7-17-23-15/h2-7,14H,8-11H2,1H3/t14-/m1/s1.
What are the key properties of [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 318.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 75411635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).