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

C19H19N3O3 — CID 162648131

IUPAC2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2cccnc2)oc1=O
InChIInChI=1S/C19H19N3O3/c23-18(21-12-5-4-9-15-7-2-1-3-8-15)22-14-17(25-19(22)24)16-10-6-11-20-13-16/h1-3,6-8,10-11,13-14H,4-5,9,12H2,(H,21,23)
InChIKeyPSROBSVSBBVUAY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.08
Rot. Bonds6

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

2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide (PubChem CID 162648131) 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-3-yl-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide
PubChem CID162648131
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2cccnc2)oc1=O
InChIInChI=1S/C19H19N3O3/c23-18(21-12-5-4-9-15-7-2-1-3-8-15)22-14-17(25-19(22)24)16-10-6-11-20-13-16/h1-3,6-8,10-11,13-14H,4-5,9,12H2,(H,21,23)
InChIKeyPSROBSVSBBVUAY-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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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide (CID 162648131) is 2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1cc(-c2cccnc2)oc1=O.
What is the InChIKey of 2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide?
The InChIKey is PSROBSVSBBVUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(21-12-5-4-9-15-7-2-1-3-8-15)22-14-17(25-19(22)24)16-10-6-11-20-13-16/h1-3,6-8,10-11,13-14H,4-5,9,12H2,(H,21,23).
What are the key properties of 2-oxo-N-(4-phenylbutyl)-5-pyridin-3-yl-1,3-oxazole-3-carboxamide?
2-oxo-N-(4-phenylbutyl)-5-pyridin-3-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-3-yl-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162648131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).