methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate

C22H16N4O3 — CID 15603280

IUPACmethyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cc(-c2nc3ncccc3o2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C22H16N4O3/c1-28-22(27)25-15-11-13(16-4-2-5-18-17(16)7-9-23-18)10-14(12-15)21-26-20-19(29-21)6-3-8-24-20/h2-12,23H,1H3,(H,25,27)
InChIKeyJJRMCFYCKVRRTN-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.22
Rot. Bonds3

About methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate

methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate (PubChem CID 15603280) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
PubChem CID15603280
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Namemethyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cc(-c2nc3ncccc3o2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C22H16N4O3/c1-28-22(27)25-15-11-13(16-4-2-5-18-17(16)7-9-23-18)10-14(12-15)21-26-20-19(29-21)6-3-8-24-20/h2-12,23H,1H3,(H,25,27)
InChIKeyJJRMCFYCKVRRTN-UHFFFAOYSA-N
XLogP5.22
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate 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 methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate (CID 15603280) is methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate is COC(=O)Nc1cc(-c2nc3ncccc3o2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The InChIKey is JJRMCFYCKVRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-28-22(27)25-15-11-13(16-4-2-5-18-17(16)7-9-23-18)10-14(12-15)21-26-20-19(29-21)6-3-8-24-20/h2-12,23H,1H3,(H,25,27).
What are the key properties of methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate has a molecular weight of 384.40 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 15603280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).