2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C19H26N2O4 — CID 2214635

IUPAC2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H26N2O4/c1-4-6-11-23-15-9-8-10-16(24-12-7-5-2)18(15)19(22)20-17-13-14(3)25-21-17/h8-10,13H,4-7,11-12H2,1-3H3,(H,20,21,22)
InChIKeyRVPRJTOEUWYJDA-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.59
Rot. Bonds10

About 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 2214635) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID2214635
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H26N2O4/c1-4-6-11-23-15-9-8-10-16(24-12-7-5-2)18(15)19(22)20-17-13-14(3)25-21-17/h8-10,13H,4-7,11-12H2,1-3H3,(H,20,21,22)
InChIKeyRVPRJTOEUWYJDA-UHFFFAOYSA-N
XLogP4.59
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.59
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 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 2214635) is 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1.
What is the InChIKey of 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is RVPRJTOEUWYJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-6-11-23-15-9-8-10-16(24-12-7-5-2)18(15)19(22)20-17-13-14(3)25-21-17/h8-10,13H,4-7,11-12H2,1-3H3,(H,20,21,22).
What are the key properties of 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 2214635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).