5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide

C18H15BrN2O2 — CID 3245735

IUPAC5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1
InChIInChI=1S/C18H15BrN2O2/c1-12(13-5-3-2-4-6-13)20-18(22)16-11-17(23-21-16)14-7-9-15(19)10-8-14/h2-12H,1H3,(H,20,22)
InChIKeyRZRPXDBEFFFEED-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.60
Rot. Bonds4

About 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide

5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3245735) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID3245735
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1
InChIInChI=1S/C18H15BrN2O2/c1-12(13-5-3-2-4-6-13)20-18(22)16-11-17(23-21-16)14-7-9-15(19)10-8-14/h2-12H,1H3,(H,20,22)
InChIKeyRZRPXDBEFFFEED-UHFFFAOYSA-N
XLogP4.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (CID 3245735) is 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RZRPXDBEFFFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-12(13-5-3-2-4-6-13)20-18(22)16-11-17(23-21-16)14-7-9-15(19)10-8-14/h2-12H,1H3,(H,20,22).
What are the key properties of 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3245735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).