2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide

C19H19N3O3 — CID 162664478

IUPAC2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2ccccn2)oc1=O
InChIInChI=1S/C19H19N3O3/c23-18(21-13-6-4-10-15-8-2-1-3-9-15)22-14-17(25-19(22)24)16-11-5-7-12-20-16/h1-3,5,7-9,11-12,14H,4,6,10,13H2,(H,21,23)
InChIKeyPOYBDNBCSGXISN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.08
Rot. Bonds6

About 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide

2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide (PubChem CID 162664478) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide
PubChem CID162664478
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2ccccn2)oc1=O
InChIInChI=1S/C19H19N3O3/c23-18(21-13-6-4-10-15-8-2-1-3-9-15)22-14-17(25-19(22)24)16-11-5-7-12-20-16/h1-3,5,7-9,11-12,14H,4,6,10,13H2,(H,21,23)
InChIKeyPOYBDNBCSGXISN-UHFFFAOYSA-N
XLogP3.08
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-oxo-1-[3-(pyridin-2-ylmethylamino)propyl]pyrimidin-4-yl]carbamate
CID 45281055
benzyl N-[1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-2-oxopyrimidin-4-yl]carbamate
CID 46903636
2-oxo-N-(4-phenylbutyl)-5-pyridin-4-yl-1,3-oxazole-3-carboxamide
CID 162643265
2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide
CID 162644609
2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide
CID 162648131
2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide
CID 162653749
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate
CID 2824416
US11141410, Example 31
CID 129273448
(4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide
CID 11652659
US11141410, Example 41
CID 129273628
benzyl N-[2-oxo-1-[3-(2-pyridin-2-ylethylamino)propyl]pyrimidin-4-yl]carbamate
CID 46903639
2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 53180500

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide (CID 162664478) is 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1cc(-c2ccccn2)oc1=O.
What is the InChIKey of 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide?
The InChIKey is POYBDNBCSGXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(21-13-6-4-10-15-8-2-1-3-9-15)22-14-17(25-19(22)24)16-11-5-7-12-20-16/h1-3,5,7-9,11-12,14H,4,6,10,13H2,(H,21,23).
What are the key properties of 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide?
2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-phenylbutyl)-5-pyridin-2-yl-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162664478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).