1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone

C22H19N3O3 — CID 66613289

IUPAC1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C22H19N3O3/c26-22(17-12-23-18-9-5-4-8-16(17)18)25-11-10-19-20(13-25)28-21(24-19)14-27-15-6-2-1-3-7-15/h1-9,12,23H,10-11,13-14H2
InChIKeyZMWXEBBZPLELSD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.93
Rot. Bonds4

About 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone

1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 66613289) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID66613289
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C22H19N3O3/c26-22(17-12-23-18-9-5-4-8-16(17)18)25-11-10-19-20(13-25)28-21(24-19)14-27-15-6-2-1-3-7-15/h1-9,12,23H,10-11,13-14H2
InChIKeyZMWXEBBZPLELSD-UHFFFAOYSA-N
XLogP3.93
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
CID 23647554
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-oxazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507881
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 66613289) is 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1.
What is the InChIKey of 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is ZMWXEBBZPLELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-22(17-12-23-18-9-5-4-8-16(17)18)25-11-10-19-20(13-25)28-21(24-19)14-27-15-6-2-1-3-7-15/h1-9,12,23H,10-11,13-14H2.
What are the key properties of 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 373.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 66613289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).