N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H20N4O2S — CID 19616121

IUPACN-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C21H20N4O2S/c1-25(2)11-10-22-20(26)15-13-16(17-9-6-12-28-17)23-21-18(15)19(24-27-21)14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)
InChIKeyTYPYJBBWCWXTSI-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19616121) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19616121
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C21H20N4O2S/c1-25(2)11-10-22-20(26)15-13-16(17-9-6-12-28-17)23-21-18(15)19(24-27-21)14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)
InChIKeyTYPYJBBWCWXTSI-UHFFFAOYSA-N
XLogP3.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315490
3-(4-methylphenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315509
3-(2-fluorophenyl)-N,N-dimethyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824382
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
3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824319
3-(4-fluorophenyl)-N-(2-methoxyethyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824377
N-[(2S)-butan-2-yl]-3-(2-fluorophenyl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854979
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32627168
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 19616121) is N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is TYPYJBBWCWXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-25(2)11-10-22-20(26)15-13-16(17-9-6-12-28-17)23-21-18(15)19(24-27-21)14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19616121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).