[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone

C25H25N3O5 — CID 129456252

IUPAC[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2cccc3occc23)C1
InChIInChI=1S/C25H25N3O5/c1-17-22(27-33-26-17)16-32-24-7-3-2-6-21(24)25(29)28-10-12-30-15-18(14-28)13-19-5-4-8-23-20(19)9-11-31-23/h2-9,11,18H,10,12-16H2,1H3/t18-/m1/s1
InChIKeyLFISQSBEOIQQKV-GOSISDBHSA-N
MW447.49 g/mol
LogP4.03
Rot. Bonds6

About [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone

[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone (PubChem CID 129456252) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone
PubChem CID129456252
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2cccc3occc23)C1
InChIInChI=1S/C25H25N3O5/c1-17-22(27-33-26-17)16-32-24-7-3-2-6-21(24)25(29)28-10-12-30-15-18(14-28)13-19-5-4-8-23-20(19)9-11-31-23/h2-9,11,18H,10,12-16H2,1H3/t18-/m1/s1
InChIKeyLFISQSBEOIQQKV-GOSISDBHSA-N
XLogP4.03
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(6S)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 124950243
[(6S)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 124964397
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125012229
[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(6S)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 129456202
[(6S)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 124949194
[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(6R)-6-(1H-pyrrolo[2,3-b]pyridin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125003610
[(6S)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125018974
[6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 132773225
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 129454120
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanone
CID 129454505
[4-(isoquinolin-6-ylmethyl)azepan-1-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 110149993
6-(1-benzofuran-4-ylmethyl)-4-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 110132099

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone?
The IUPAC name of [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone (CID 129456252) is [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone?
The canonical SMILES for [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone is Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2cccc3occc23)C1.
What is the InChIKey of [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone?
The InChIKey is LFISQSBEOIQQKV-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-17-22(27-33-26-17)16-32-24-7-3-2-6-21(24)25(29)28-10-12-30-15-18(14-28)13-19-5-4-8-23-20(19)9-11-31-23/h2-9,11,18H,10,12-16H2,1H3/t18-/m1/s1.
What are the key properties of [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone?
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone has a molecular weight of 447.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 129456252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).