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

C14H15BrN2O2 — CID 3242684

IUPAC5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C14H15BrN2O2/c1-9(2)8-16-14(18)12-7-13(19-17-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyHURKCCYEJMCGAM-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.49
Rot. Bonds4

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

5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 3242684) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID3242684
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C14H15BrN2O2/c1-9(2)8-16-14(18)12-7-13(19-17-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyHURKCCYEJMCGAM-UHFFFAOYSA-N
XLogP3.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.49
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-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 3242684) is 5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)on1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HURKCCYEJMCGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9(2)8-16-14(18)12-7-13(19-17-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of 5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.49, 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-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3242684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).