4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide

C18H24N2O3 — CID 13316962

IUPAC4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide
SMILESCc1cc(CCCCCCCOc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C18H24N2O3/c1-14-13-17(23-20-14)7-5-3-2-4-6-12-22-16-10-8-15(9-11-16)18(19)21/h8-11,13H,2-7,12H2,1H3,(H2,19,21)
InChIKeyRIHNLFKYWUHWKZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.65
Rot. Bonds10

About 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide

4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide (PubChem CID 13316962) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide.

Molecular Properties

Compound Name4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide
PubChem CID13316962
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide
SMILESCc1cc(CCCCCCCOc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C18H24N2O3/c1-14-13-17(23-20-14)7-5-3-2-4-6-12-22-16-10-8-15(9-11-16)18(19)21/h8-11,13H,2-7,12H2,1H3,(H2,19,21)
InChIKeyRIHNLFKYWUHWKZ-UHFFFAOYSA-N
XLogP3.65
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.65
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-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide?
The IUPAC name of 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide (CID 13316962) is 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide.
What is the SMILES notation for 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide?
The canonical SMILES for 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide is Cc1cc(CCCCCCCOc2ccc(C(N)=O)cc2)on1.
What is the InChIKey of 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide?
The InChIKey is RIHNLFKYWUHWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14-13-17(23-20-14)7-5-3-2-4-6-12-22-16-10-8-15(9-11-16)18(19)21/h8-11,13H,2-7,12H2,1H3,(H2,19,21).
What are the key properties of 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide?
4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide has a molecular weight of 316.40 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide is sourced from PubChem (CID 13316962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).