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

C18H18N4O3 — CID 162653749

IUPAC2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2cnccn2)oc1=O
InChIInChI=1S/C18H18N4O3/c23-17(21-9-5-4-8-14-6-2-1-3-7-14)22-13-16(25-18(22)24)15-12-19-10-11-20-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,21,23)
InChIKeyMNKCMOGZSAXDNK-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.48
Rot. Bonds6

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

2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide (PubChem CID 162653749) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide
PubChem CID162653749
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2cnccn2)oc1=O
InChIInChI=1S/C18H18N4O3/c23-17(21-9-5-4-8-14-6-2-1-3-7-14)22-13-16(25-18(22)24)15-12-19-10-11-20-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,21,23)
InChIKeyMNKCMOGZSAXDNK-UHFFFAOYSA-N
XLogP2.48
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyrazin-2-yl-1,3-oxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide (CID 162653749) is 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1cc(-c2cnccn2)oc1=O.
What is the InChIKey of 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide?
The InChIKey is MNKCMOGZSAXDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17(21-9-5-4-8-14-6-2-1-3-7-14)22-13-16(25-18(22)24)15-12-19-10-11-20-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,21,23).
What are the key properties of 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide?
2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-phenylbutyl)-5-pyrazin-2-yl-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162653749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).