2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid

C22H19FN4O5 — CID 168951203

IUPAC2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(F)c3c(c2NC2=NCC(C(=O)O)(c4ccon4)O2)CCC3)ccn1
InChIInChI=1S/C22H19FN4O5/c1-30-18-9-12(5-7-24-18)15-10-16(23)13-3-2-4-14(13)19(15)26-21-25-11-22(32-21,20(28)29)17-6-8-31-27-17/h5-10H,2-4,11H2,1H3,(H,25,26)(H,28,29)
InChIKeyHPZFORPRIAMWBH-UHFFFAOYSA-N
MW438.42 g/mol
LogP3.15
Rot. Bonds5

About 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid

2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid (PubChem CID 168951203) has the molecular formula C22H19FN4O5 and a molecular weight of 438.42 g/mol. Its IUPAC name is 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-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-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
PubChem CID168951203
Molecular FormulaC22H19FN4O5
Molecular Weight438.42 g/mol
Exact Mass438.13
IUPAC Name2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(F)c3c(c2NC2=NCC(C(=O)O)(c4ccon4)O2)CCC3)ccn1
InChIInChI=1S/C22H19FN4O5/c1-30-18-9-12(5-7-24-18)15-10-16(23)13-3-2-4-14(13)19(15)26-21-25-11-22(32-21,20(28)29)17-6-8-31-27-17/h5-10H,2-4,11H2,1H3,(H,25,26)(H,28,29)
InChIKeyHPZFORPRIAMWBH-UHFFFAOYSA-N
XLogP3.15
TPSA119.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-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-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-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-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid (CID 168951203) is 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-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-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-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-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid is COc1cc(-c2cc(F)c3c(c2NC2=NCC(C(=O)O)(c4ccon4)O2)CCC3)ccn1.
What is the InChIKey of 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
The InChIKey is HPZFORPRIAMWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O5/c1-30-18-9-12(5-7-24-18)15-10-16(23)13-3-2-4-14(13)19(15)26-21-25-11-22(32-21,20(28)29)17-6-8-31-27-17/h5-10H,2-4,11H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-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 438.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-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 168951203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).