3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H19N3O3S — CID 166234709

IUPAC3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CC(O)C2)c1cc(-c2cccs2)nc2onc(C3CC3)c12
InChIInChI=1S/C23H19N3O3S/c27-16-9-13-5-6-15(8-14(13)10-16)24-22(28)17-11-18(19-2-1-7-30-19)25-23-20(17)21(26-29-23)12-3-4-12/h1-2,5-8,11-12,16,27H,3-4,9-10H2,(H,24,28)
InChIKeyLGLZZZXUHZWMIZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.54
Rot. Bonds4

About 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166234709) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166234709
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CC(O)C2)c1cc(-c2cccs2)nc2onc(C3CC3)c12
InChIInChI=1S/C23H19N3O3S/c27-16-9-13-5-6-15(8-14(13)10-16)24-22(28)17-11-18(19-2-1-7-30-19)25-23-20(17)21(26-29-23)12-3-4-12/h1-2,5-8,11-12,16,27H,3-4,9-10H2,(H,24,28)
InChIKeyLGLZZZXUHZWMIZ-UHFFFAOYSA-N
XLogP4.54
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44823754
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24656120
N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32627168
3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18286349
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591048
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853209
N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315198
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-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824319
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
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
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 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166234709) is 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)CC(O)C2)c1cc(-c2cccs2)nc2onc(C3CC3)c12.
What is the InChIKey of 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LGLZZZXUHZWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-16-9-13-5-6-15(8-14(13)10-16)24-22(28)17-11-18(19-2-1-7-30-19)25-23-20(17)21(26-29-23)12-3-4-12/h1-2,5-8,11-12,16,27H,3-4,9-10H2,(H,24,28).
What are the key properties of 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166234709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).