N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide

C28H24FN5O3 — CID 156906597

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCn1ccc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
InChIInChI=1S/C28H24FN5O3/c1-33-13-10-20-15-23(7-8-25(20)33)34(28(36)24-17-37-18-32-24)26(21-5-3-11-30-16-21)27(35)31-12-9-19-4-2-6-22(29)14-19/h2-8,10-11,13-18,26H,9,12H2,1H3,(H,31,35)
InChIKeyFLUFIIUXSOKYNJ-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.45
Rot. Bonds8

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 156906597) has the molecular formula C28H24FN5O3 and a molecular weight of 497.53 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID156906597
Molecular FormulaC28H24FN5O3
Molecular Weight497.53 g/mol
Exact Mass497.19
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCn1ccc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
InChIInChI=1S/C28H24FN5O3/c1-33-13-10-20-15-23(7-8-25(20)33)34(28(36)24-17-37-18-32-24)26(21-5-3-11-30-16-21)27(35)31-12-9-19-4-2-6-22(29)14-19/h2-8,10-11,13-18,26H,9,12H2,1H3,(H,31,35)
InChIKeyFLUFIIUXSOKYNJ-UHFFFAOYSA-N
XLogP4.45
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide 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 N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide (CID 156906597) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide is Cn1ccc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is FLUFIIUXSOKYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O3/c1-33-13-10-20-15-23(7-8-25(20)33)34(28(36)24-17-37-18-32-24)26(21-5-3-11-30-16-21)27(35)31-12-9-19-4-2-6-22(29)14-19/h2-8,10-11,13-18,26H,9,12H2,1H3,(H,31,35).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).