N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

C27H25FN4O3 — CID 156906616

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1CN(C(=O)c1cocn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C27H25FN4O3/c1-19-6-2-3-8-22(19)16-32(27(34)24-17-35-18-31-24)25(21-9-5-12-29-15-21)26(33)30-13-11-20-7-4-10-23(28)14-20/h2-10,12,14-15,17-18,25H,11,13,16H2,1H3,(H,30,33)
InChIKeyPOCUFOREBHTQAC-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.26
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906616) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID156906616
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1CN(C(=O)c1cocn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C27H25FN4O3/c1-19-6-2-3-8-22(19)16-32(27(34)24-17-35-18-31-24)25(21-9-5-12-29-15-21)26(33)30-13-11-20-7-4-10-23(28)14-20/h2-10,12,14-15,17-18,25H,11,13,16H2,1H3,(H,30,33)
InChIKeyPOCUFOREBHTQAC-UHFFFAOYSA-N
XLogP4.26
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 156906616) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is Cc1ccccc1CN(C(=O)c1cocn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is POCUFOREBHTQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-19-6-2-3-8-22(19)16-32(27(34)24-17-35-18-31-24)25(21-9-5-12-29-15-21)26(33)30-13-11-20-7-4-10-23(28)14-20/h2-10,12,14-15,17-18,25H,11,13,16H2,1H3,(H,30,33).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(2-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).