N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide

C24H18FN5O4 — CID 68956303

IUPACN-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESCOCOc1cc(F)ccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2ccno2)n1
InChIInChI=1S/C24H18FN5O4/c1-32-13-33-22-10-15(25)5-6-17(22)20-11-18(14-3-2-4-16(27)9-14)19(12-26)23(29-20)30-24(31)21-7-8-28-34-21/h2-11H,13,27H2,1H3,(H,29,30,31)
InChIKeyIPBHDEYYQCIVHW-UHFFFAOYSA-N
MW459.44 g/mol
LogP4.23
Rot. Bonds7

About N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide

N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide (PubChem CID 68956303) has the molecular formula C24H18FN5O4 and a molecular weight of 459.44 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide
PubChem CID68956303
Molecular FormulaC24H18FN5O4
Molecular Weight459.44 g/mol
Exact Mass459.13
IUPAC NameN-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESCOCOc1cc(F)ccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2ccno2)n1
InChIInChI=1S/C24H18FN5O4/c1-32-13-33-22-10-15(25)5-6-17(22)20-11-18(14-3-2-4-16(27)9-14)19(12-26)23(29-20)30-24(31)21-7-8-28-34-21/h2-11H,13,27H2,1H3,(H,29,30,31)
InChIKeyIPBHDEYYQCIVHW-UHFFFAOYSA-N
XLogP4.23
TPSA136.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide (CID 68956303) is N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide is COCOc1cc(F)ccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2ccno2)n1.
What is the InChIKey of N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IPBHDEYYQCIVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O4/c1-32-13-33-22-10-15(25)5-6-17(22)20-11-18(14-3-2-4-16(27)9-14)19(12-26)23(29-20)30-24(31)21-7-8-28-34-21/h2-11H,13,27H2,1H3,(H,29,30,31).
What are the key properties of N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide?
N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide has a molecular weight of 459.44 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68956303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).