4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C15H18N2O3 — CID 4242282

IUPAC4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-19-13-7-5-12(6-8-13)15(18)16-14-10-11(2)20-17-14/h5-8,10H,3-4,9H2,1-2H3,(H,16,17,18)
InChIKeyRHNHWLJFPWGPFI-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.41
Rot. Bonds6

About 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 4242282) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID4242282
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-19-13-7-5-12(6-8-13)15(18)16-14-10-11(2)20-17-14/h5-8,10H,3-4,9H2,1-2H3,(H,16,17,18)
InChIKeyRHNHWLJFPWGPFI-UHFFFAOYSA-N
XLogP3.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.41
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 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 4242282) is 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CCCCOc1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is RHNHWLJFPWGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-9-19-13-7-5-12(6-8-13)15(18)16-14-10-11(2)20-17-14/h5-8,10H,3-4,9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 4242282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).