N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C28H25FN4O3 — CID 156906600

About N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906600) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 156906600
• Molecular Formula: C28H25FN4O3
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.19
• IUPAC Name: N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
• SMILES: O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCc2ccccc21
• InChI: InChI=1S/C28H25FN4O3/c29-22-8-3-5-19(15-22)12-14-31-27(34)26(21-7-4-13-30-16-21)33(28(35)24-17-36-18-32-24)25-11-10-20-6-1-2-9-23(20)25/h1-9,13,15-18,25-26H,10-12,14H2,(H,31,34)
• InChIKey: OUTXCWSBNOESLF-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906600) is N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCc2ccccc21.

What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is OUTXCWSBNOESLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c29-22-8-3-5-19(15-22)12-14-31-27(34)26(21-7-4-13-30-16-21)33(28(35)24-17-36-18-32-24)25-11-10-20-6-1-2-9-23(20)25/h1-9,13,15-18,25-26H,10-12,14H2,(H,31,34).

What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).