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

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Related Compounds

3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
4-(4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 90285039
4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide
CID 117881270
4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1385138
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 876172
2-(4-bromophenoxy)-N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide
CID 983787
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
CID 23647541
5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
CID 71581423
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-imidazol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647565
N-(2-Methyl-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-propionamide
CID 718603
N-(2-Methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-nicotinamide
CID 743073
N-(2-Methyl-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-isobutyramide
CID 763827

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).