5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide

C14H11ClN2O3 — CID 3406811

IUPAC5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(Cl)cc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H11ClN2O3/c1-3-6-19-12-5-4-10(15)8-11(12)14(18)16-13-7-9(2)20-17-13/h1,4-5,7-8H,6H2,2H3,(H,16,17,18)
InChIKeySEFQOZIUUWUPHP-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.90
Rot. Bonds4

About 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide

5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide (PubChem CID 3406811) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide
PubChem CID3406811
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(Cl)cc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H11ClN2O3/c1-3-6-19-12-5-4-10(15)8-11(12)14(18)16-13-7-9(2)20-17-13/h1,4-5,7-8H,6H2,2H3,(H,16,17,18)
InChIKeySEFQOZIUUWUPHP-UHFFFAOYSA-N
XLogP2.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide?
The IUPAC name of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide (CID 3406811) is 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide?
The canonical SMILES for 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide is C#CCOc1ccc(Cl)cc1C(=O)Nc1cc(C)on1.
What is the InChIKey of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide?
The InChIKey is SEFQOZIUUWUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-3-6-19-12-5-4-10(15)8-11(12)14(18)16-13-7-9(2)20-17-13/h1,4-5,7-8H,6H2,2H3,(H,16,17,18).
What are the key properties of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide?
5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide has a molecular weight of 290.71 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-prop-2-ynoxybenzamide is sourced from PubChem (CID 3406811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).