4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide

C15H17BrN2O2 — CID 102851049

IUPAC4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(CBr)cc2)on1
InChIInChI=1S/C15H17BrN2O2/c1-15(2,3)12-8-13(20-18-12)17-14(19)11-6-4-10(9-16)5-7-11/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeySSRNELCXGCVLBA-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.12
Rot. Bonds3

About 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide

4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide (PubChem CID 102851049) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
PubChem CID102851049
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(CBr)cc2)on1
InChIInChI=1S/C15H17BrN2O2/c1-15(2,3)12-8-13(20-18-12)17-14(19)11-6-4-10(9-16)5-7-11/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeySSRNELCXGCVLBA-UHFFFAOYSA-N
XLogP4.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide (CID 102851049) is 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccc(CBr)cc2)on1.
What is the InChIKey of 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is SSRNELCXGCVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-15(2,3)12-8-13(20-18-12)17-14(19)11-6-4-10(9-16)5-7-11/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide?
4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 337.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 102851049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).