[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone

C19H20N4O2 — CID 154994314

IUPAC[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccc3[nH]ccc3c1)CCO2)N1CCCC1
InChIInChI=1S/C19H20N4O2/c24-19(22-7-1-2-8-22)16-12-17-18(21-16)23(9-10-25-17)14-3-4-15-13(11-14)5-6-20-15/h3-6,11-12,20-21H,1-2,7-10H2
InChIKeyDBPJBNIPLWCNIU-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.26
Rot. Bonds2

About [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone

[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154994314) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID154994314
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccc3[nH]ccc3c1)CCO2)N1CCCC1
InChIInChI=1S/C19H20N4O2/c24-19(22-7-1-2-8-22)16-12-17-18(21-16)23(9-10-25-17)14-3-4-15-13(11-14)5-6-20-15/h3-6,11-12,20-21H,1-2,7-10H2
InChIKeyDBPJBNIPLWCNIU-UHFFFAOYSA-N
XLogP3.26
TPSA64.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone (CID 154994314) is [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2c([nH]1)N(c1ccc3[nH]ccc3c1)CCO2)N1CCCC1.
What is the InChIKey of [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DBPJBNIPLWCNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(22-7-1-2-8-22)16-12-17-18(21-16)23(9-10-25-17)14-3-4-15-13(11-14)5-6-20-15/h3-6,11-12,20-21H,1-2,7-10H2.
What are the key properties of [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 336.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154994314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).