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

C24H25FN4O4 — CID 156906592

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCCOC1
InChIInChI=1S/C24H25FN4O4/c25-19-6-1-4-17(12-19)8-10-27-23(30)22(18-5-2-9-26-13-18)29(20-7-3-11-32-14-20)24(31)21-15-33-16-28-21/h1-2,4-6,9,12-13,15-16,20,22H,3,7-8,10-11,14H2,(H,27,30)
InChIKeyUZZGHEJNTNDUBK-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.93
Rot. Bonds8

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 156906592) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID156906592
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCCOC1
InChIInChI=1S/C24H25FN4O4/c25-19-6-1-4-17(12-19)8-10-27-23(30)22(18-5-2-9-26-13-18)29(20-7-3-11-32-14-20)24(31)21-15-33-16-28-21/h1-2,4-6,9,12-13,15-16,20,22H,3,7-8,10-11,14H2,(H,27,30)
InChIKeyUZZGHEJNTNDUBK-UHFFFAOYSA-N
XLogP2.93
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(oxan-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide (CID 156906592) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-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-(oxan-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCCOC1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is UZZGHEJNTNDUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c25-19-6-1-4-17(12-19)8-10-27-23(30)22(18-5-2-9-26-13-18)29(20-7-3-11-32-14-20)24(31)21-15-33-16-28-21/h1-2,4-6,9,12-13,15-16,20,22H,3,7-8,10-11,14H2,(H,27,30).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(oxan-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.93, 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-(oxan-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).