6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane

C20H23N3O — CID 127245807

IUPAC6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESc1ccc(CN2CCOCC(Cc3ccc4[nH]ccc4c3)C2)nc1
InChIInChI=1S/C20H23N3O/c1-2-7-21-19(3-1)14-23-9-10-24-15-17(13-23)11-16-4-5-20-18(12-16)6-8-22-20/h1-8,12,17,22H,9-11,13-15H2
InChIKeyUUDOQKWUAQMJOG-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.25
Rot. Bonds4

About 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane

6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane (PubChem CID 127245807) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
PubChem CID127245807
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESc1ccc(CN2CCOCC(Cc3ccc4[nH]ccc4c3)C2)nc1
InChIInChI=1S/C20H23N3O/c1-2-7-21-19(3-1)14-23-9-10-24-15-17(13-23)11-16-4-5-20-18(12-16)6-8-22-20/h1-8,12,17,22H,9-11,13-15H2
InChIKeyUUDOQKWUAQMJOG-UHFFFAOYSA-N
XLogP3.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-4-(cyclopropylmethyl)-6-(1H-indol-5-ylmethyl)-1,4-oxazepane
CID 125013548
(6S)-6-(1H-indol-5-ylmethyl)-4-prop-2-enyl-1,4-oxazepane
CID 124963938
(6R)-6-(1H-indol-5-ylmethyl)-4-prop-2-enyl-1,4-oxazepane
CID 124963939
6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 155983978
4-(1H-indol-5-ylmethyl)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
CID 110111248
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 125026089
(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 124997654
(6S)-6-(quinolin-6-ylmethyl)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepane
CID 124946584
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125014235
1-[6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-2,2-dimethylpropan-1-one
CID 127245823

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane (CID 127245807) is 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane is c1ccc(CN2CCOCC(Cc3ccc4[nH]ccc4c3)C2)nc1.
What is the InChIKey of 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is UUDOQKWUAQMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-7-21-19(3-1)14-23-9-10-24-15-17(13-23)11-16-4-5-20-18(12-16)6-8-22-20/h1-8,12,17,22H,9-11,13-15H2.
What are the key properties of 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 321.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 127245807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).