N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

C19H19N3O2 — CID 51361508

IUPACN-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2ccncc2)oc1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-3-11-21-18(23)16-17(14-7-5-4-6-8-14)24-19(22-16)15-9-12-20-13-10-15/h4-10,12-13H,2-3,11H2,1H3,(H,21,23)
InChIKeyDOAFWIGTSRGFOW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.93
Rot. Bonds6

About N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 51361508) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID51361508
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2ccncc2)oc1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-3-11-21-18(23)16-17(14-7-5-4-6-8-14)24-19(22-16)15-9-12-20-13-10-15/h4-10,12-13H,2-3,11H2,1H3,(H,21,23)
InChIKeyDOAFWIGTSRGFOW-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (CID 51361508) is N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1nc(-c2ccncc2)oc1-c1ccccc1.
What is the InChIKey of N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is DOAFWIGTSRGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-3-11-21-18(23)16-17(14-7-5-4-6-8-14)24-19(22-16)15-9-12-20-13-10-15/h4-10,12-13H,2-3,11H2,1H3,(H,21,23).
What are the key properties of N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51361508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).