2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid

C23H22N4O5 — CID 168951209

IUPAC2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2c(C)cc3c(c2NC2=NCC(C(=O)O)(c4ccon4)O2)CCC3)ccn1
InChIInChI=1S/C23H22N4O5/c1-13-10-14-4-3-5-16(14)20(19(13)15-6-8-24-18(11-15)30-2)26-22-25-12-23(32-22,21(28)29)17-7-9-31-27-17/h6-11H,3-5,12H2,1-2H3,(H,25,26)(H,28,29)
InChIKeyLYKKDPALXUESAO-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.32
Rot. Bonds5

About 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid

2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid (PubChem CID 168951209) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
PubChem CID168951209
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2c(C)cc3c(c2NC2=NCC(C(=O)O)(c4ccon4)O2)CCC3)ccn1
InChIInChI=1S/C23H22N4O5/c1-13-10-14-4-3-5-16(14)20(19(13)15-6-8-24-18(11-15)30-2)26-22-25-12-23(32-22,21(28)29)17-7-9-31-27-17/h6-11H,3-5,12H2,1-2H3,(H,25,26)(H,28,29)
InChIKeyLYKKDPALXUESAO-UHFFFAOYSA-N
XLogP3.32
TPSA119.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid (CID 168951209) is 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid is COc1cc(-c2c(C)cc3c(c2NC2=NCC(C(=O)O)(c4ccon4)O2)CCC3)ccn1.
What is the InChIKey of 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
The InChIKey is LYKKDPALXUESAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-13-10-14-4-3-5-16(14)20(19(13)15-6-8-24-18(11-15)30-2)26-22-25-12-23(32-22,21(28)29)17-7-9-31-27-17/h6-11H,3-5,12H2,1-2H3,(H,25,26)(H,28,29).
What are the key properties of 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid has a molecular weight of 434.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 168951209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).