7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid

C30H24F3N3O4 — CID 57485457

IUPAC7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1cc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)ccc1-2
InChIInChI=1S/C30H24F3N3O4/c31-30(32,33)26-25(40-29(35-26)36-12-10-18(11-13-36)17-4-2-1-3-5-17)27(37)34-22-7-9-24-21(16-22)15-20-14-19(28(38)39)6-8-23(20)24/h1-9,14,16,18H,10-13,15H2,(H,34,37)(H,38,39)
InChIKeyAFGZNIYEHGNYMP-UHFFFAOYSA-N
MW547.53 g/mol
LogP6.60
Rot. Bonds5

About 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid

7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid (PubChem CID 57485457) has the molecular formula C30H24F3N3O4 and a molecular weight of 547.53 g/mol. Its IUPAC name is 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid
PubChem CID57485457
Molecular FormulaC30H24F3N3O4
Molecular Weight547.53 g/mol
Exact Mass547.17
IUPAC Name7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1cc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)ccc1-2
InChIInChI=1S/C30H24F3N3O4/c31-30(32,33)26-25(40-29(35-26)36-12-10-18(11-13-36)17-4-2-1-3-5-17)27(37)34-22-7-9-24-21(16-22)15-20-14-19(28(38)39)6-8-23(20)24/h1-9,14,16,18H,10-13,15H2,(H,34,37)(H,38,39)
InChIKeyAFGZNIYEHGNYMP-UHFFFAOYSA-N
XLogP6.60
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.53
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid?
The IUPAC name of 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid (CID 57485457) is 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid is O=C(O)c1ccc2c(c1)Cc1cc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)ccc1-2.
What is the InChIKey of 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid?
The InChIKey is AFGZNIYEHGNYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O4/c31-30(32,33)26-25(40-29(35-26)36-12-10-18(11-13-36)17-4-2-1-3-5-17)27(37)34-22-7-9-24-21(16-22)15-20-14-19(28(38)39)6-8-23(20)24/h1-9,14,16,18H,10-13,15H2,(H,34,37)(H,38,39).
What are the key properties of 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid?
7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid has a molecular weight of 547.53 g/mol, XLogP of 6.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 57485457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).