6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane

C19H24N2O2 — CID 155983978

IUPAC6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESCOc1cccc(CC2COCCN(Cc3ccccn3)C2)c1
InChIInChI=1S/C19H24N2O2/c1-22-19-7-4-5-16(12-19)11-17-13-21(9-10-23-15-17)14-18-6-2-3-8-20-18/h2-8,12,17H,9-11,13-15H2,1H3
InChIKeyLUNSDMBZFPJJCA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.78
Rot. Bonds5

About 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane

6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane (PubChem CID 155983978) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
PubChem CID155983978
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESCOc1cccc(CC2COCCN(Cc3ccccn3)C2)c1
InChIInChI=1S/C19H24N2O2/c1-22-19-7-4-5-16(12-19)11-17-13-21(9-10-23-15-17)14-18-6-2-3-8-20-18/h2-8,12,17H,9-11,13-15H2,1H3
InChIKeyLUNSDMBZFPJJCA-UHFFFAOYSA-N
XLogP2.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 127245807
(6S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-(quinolin-8-ylmethyl)-1,4-oxazepane
CID 125023104
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125014235
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 75367807
2-(3-methoxyphenyl)-1-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 124990339
2-(3-methoxyphenyl)-1-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 124990338
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
CID 97344255
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 77097732

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane (CID 155983978) is 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane is COc1cccc(CC2COCCN(Cc3ccccn3)C2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is LUNSDMBZFPJJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-19-7-4-5-16(12-19)11-17-13-21(9-10-23-15-17)14-18-6-2-3-8-20-18/h2-8,12,17H,9-11,13-15H2,1H3.
What are the key properties of 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 312.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 155983978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).