ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate

C15H14N4O4S — CID 46808868

IUPACethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cc(-c2cccs2)nc2onc(C)c12
InChIInChI=1S/C15H14N4O4S/c1-3-22-15(21)18-17-13(20)9-7-10(11-5-4-6-24-11)16-14-12(9)8(2)19-23-14/h4-7H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBCHYFSTTYGFRMK-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.65
Rot. Bonds3

About ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate

ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate (PubChem CID 46808868) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
PubChem CID46808868
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Nameethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cc(-c2cccs2)nc2onc(C)c12
InChIInChI=1S/C15H14N4O4S/c1-3-22-15(21)18-17-13(20)9-7-10(11-5-4-6-24-11)16-14-12(9)8(2)19-23-14/h4-7H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBCHYFSTTYGFRMK-UHFFFAOYSA-N
XLogP2.65
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-thiophen-2-yl-N'-(3,4,5-trimethoxybenzoyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46665933
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 29418714
N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46808856
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680769
3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 16581844
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24600018
[2-(4-acetamidophenyl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680916
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24668528
methyl 2-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18276172

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate (CID 46808868) is ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)c1cc(-c2cccs2)nc2onc(C)c12.
What is the InChIKey of ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate?
The InChIKey is BCHYFSTTYGFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-3-22-15(21)18-17-13(20)9-7-10(11-5-4-6-24-11)16-14-12(9)8(2)19-23-14/h4-7H,3H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate?
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate has a molecular weight of 346.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate is sourced from PubChem (CID 46808868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).